Recent developments in micro- and nano-satellites have attracted the interest of the research community worldwide. Many colleges and corporations have launched their satellites in space. Meanwhile, the space flexible ...Recent developments in micro- and nano-satellites have attracted the interest of the research community worldwide. Many colleges and corporations have launched their satellites in space. Meanwhile, the space flexible probe-cone docking system for micro- and nano-satellites has become an attractive topic. In this paper, a dynamic model of a space flexible probe-cone dock- ing system, in which the flexible beam technology is applied, is built based on the Kane method. The curves of impact force versus time are obtained by the Lagrange model, the Kane model, and the experimental method. The Lagrange model was presented in the reference and verified by both finite element simulation and experiment. The results of the three methods show good agreements on the condition that the beam flexibility and the initial relative velocity change. It is worth mentioning that the introduction of vectorial mechanics and analytical mechanics in the Kane method leads to a large reduction of differential operations and makes the modeling process much easier than that of the Lagrange method. Moreover, the influences of the beam flexibility and the initial relative velocity are discussed. It is concluded that the initial relative velocity of space docking operation should be controlled to a certain value in order to protect the docking system.展开更多
This study proposes an automatic control system for Autonomous Underwater Vehicle(AUV)docking,utilizing a digital twin(DT)environment based on the HoloOcean platform,which integrates six-degree-of-freedom(6-DOF)motion...This study proposes an automatic control system for Autonomous Underwater Vehicle(AUV)docking,utilizing a digital twin(DT)environment based on the HoloOcean platform,which integrates six-degree-of-freedom(6-DOF)motion equations and hydrodynamic coefficients to create a realistic simulation.Although conventional model-based and visual servoing approaches often struggle in dynamic underwater environments due to limited adaptability and extensive parameter tuning requirements,deep reinforcement learning(DRL)offers a promising alternative.In the positioning stage,the Twin Delayed Deep Deterministic Policy Gradient(TD3)algorithm is employed for synchronized depth and heading control,which offers stable training,reduced overestimation bias,and superior handling of continuous control compared to other DRL methods.During the searching stage,zig-zag heading motion combined with a state-of-the-art object detection algorithm facilitates docking station localization.For the docking stage,this study proposes an innovative Image-based DDPG(I-DDPG),enhanced and trained in a Unity-MATLAB simulation environment,to achieve visual target tracking.Furthermore,integrating a DT environment enables efficient and safe policy training,reduces dependence on costly real-world tests,and improves sim-to-real transfer performance.Both simulation and real-world experiments were conducted,demonstrating the effectiveness of the system in improving AUV control strategies and supporting the transition from simulation to real-world operations in underwater environments.The results highlight the scalability and robustness of the proposed system,as evidenced by the TD3 controller achieving 25%less oscillation than the adaptive fuzzy controller when reaching the target depth,thereby demonstrating superior stability,accuracy,and potential for broader and more complex autonomous underwater tasks.展开更多
A manipulator-type docking hardware-in-the-loop(HIL)simulation system is proposed in this paper,with further development of the space docking technology and corresponding requirements of the engineering project.First,...A manipulator-type docking hardware-in-the-loop(HIL)simulation system is proposed in this paper,with further development of the space docking technology and corresponding requirements of the engineering project.First,the structure of the manipulator-type HIL simulation system is explained.The mass and the flexibility of the manipulator has an important influence on the stability of the HIL system,which is the premise of accurately simulating actual space docking.Thus,the docking HIL simulation models of rigid,flexible and flexible-light space manipulators are established.The characteristics of the three HIL systems are studied from three important aspects:the system parameter configuration relation,the system stability condition and the dynamics frequency simulation ability.The key conclusions obtained were that the system satisfies stability or reproduction accuracy.Meanwhile,the influence of different manipulators on the system stability is further analyzed.The accuracy of the calculated results is verified experimentally.展开更多
[Objectives]To explore the molecular mechanisms of Yinqiao anti-epidemic formula(YQAEF)in regulating mucosal immune system of respiratory tract.[Methods]The active components of YQAEF were obtained from the TCMSP data...[Objectives]To explore the molecular mechanisms of Yinqiao anti-epidemic formula(YQAEF)in regulating mucosal immune system of respiratory tract.[Methods]The active components of YQAEF were obtained from the TCMSP database,and RMIS targets were obtained from the GeneCards database.A"YQAEF components-RMIS targets-pathways"network was constructed by analyzing the above data to screen core targets for molecular docking verification.A mouse model of acute upper respiratory tract infection(AURI)was developed.Based on the experimental models,the key pathway target genes screened by network pharmacology were verified in vivo.[Results]The main active components of YQAEF involved in the regulation of the RMIS included quercetin,acetic acid,and raffinose.Key targets,such as angiotensin-converting enzyme(ACE),galactosidase alpha(GLA),matrix metalloproteinase 2(MMP2),Serpin Family E Member 1(SERPINE1),and myeloperoxidase(MPO)and important viral infection and endocrine resistance signaling pathways were included in the regulation of the RMIS with YQAEF.Molecular docking assays showed that the key targets had good binding activities with the components of YQAEF.Based on the results of network pharmacology,key target proteins in ACE,GLA,MMP2,SERPINE1,and MPO were selected for experimental verification.The results showed that ACE/ACE2 and MPO expressions were increased in the oral and throat mucosa of the AURI mice.Under YQAEF treatment,the expression levels of ACE/ACE2 and MPO were decreased.[Conclusions]This study revealed the mechanism of YQAEF in the regulation of RMIS,which is associated with multiple components,targets,and pathways.Further experiments confirmed that YQAEF interfered with MPO and ACE/ACE2 signaling pathways to regulate the RMIS in the oral and throat mucosa tissue of mice with AURI,and provide a new direction for exploring the potential antiviral mechanism of YQAEF.展开更多
Aromatic hydrocarbons generally refer to compounds containing benzene rings.Many types of isomers can be formed by replacing hydrogen atoms on the benzene ring.In this paper,an aromatic-hydrocarbon-inspired modular ro...Aromatic hydrocarbons generally refer to compounds containing benzene rings.Many types of isomers can be formed by replacing hydrogen atoms on the benzene ring.In this paper,an aromatic-hydrocarbon-inspired modular robot(AHIMR)is proposed.The robot can be reassembled into different configurations suitable for various task requirements.A vision-based docking system is designed for the AHIMR.The system primarily consists of two stages:a remote guidance stage and a precise docking stage.During the remote guidance stage,an object module is identified using an illumination adaptive target recognition algorithm,and then the active module moves to the docking area through communication with ZigBee.In the precise docking stage,the active module calculates the relative pose with the object module using a perspective-n-point method and dynamically adjusts its posture to dock.In this process,a Kalman filter is used to reduce target occlusion and jitter interference.In addition,the docking system feasibility is verified via several simulation experiments.The module docking accuracy is controlled within 0.01 m,which meets the reconfiguration task requirements of the AHIMR.In the AHIMR submodule docking experiment,the active module accurately moves to the expected position with a docking success rate of 95%.展开更多
Objective:To explore the molecular mechanism of Capparis spinosa in the treatment of systemic sclerosis((SSC))based on network pharmacology.Methods:GEO,Genecards,Pharmgkb,TTD and Drugbank databases were used to obtain...Objective:To explore the molecular mechanism of Capparis spinosa in the treatment of systemic sclerosis((SSC))based on network pharmacology.Methods:GEO,Genecards,Pharmgkb,TTD and Drugbank databases were used to obtain SSC targets,related literatures and Swisstargetprediction databases were used to obtain the main components of Citrus and their corresponding targets,and intersection was used to obtain prediction targets.Log in to the String database to analyze the protein interaction of the prediction target(PPI),further used Cytoscape to obtain the core gene by network topology analysis,and the core gene was docked with the main components of Capparis spinosa.The prediction targets were analyzed by gene ontology(GO)analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway analysis using R software.Results:A total of 15 active components and their targets were obtained,3171 SSC targets were obtained,and 66 predicted targets were obtained by intersection.Ten PPI core genes such as VEGFA,TNF,AKT1,PTGS2 and MMP9 were obtained by topological analysis.GO analysis involved many biological processes such as reactive oxygen species metabolic process、protein kinase B signaling、regulation of inflammatory response、phosphatidylinositol 3-kinase signaling and so on.KEGG pathway analysis showed PI3K-Akt signaling pathway,Proteoglycans in cancer,Focal adhesion,Rap1 signaling pathway and other signaling pathways.Conclusion:The molecular mechanism of Capparis spinosa in the treatment of SSC is predicted by the method of network pharmacology,which provides theoretical basis and data support for the basic research of Citrus officinalis in the treatment of SSC.展开更多
Enterprise merger and reorganization this link as an enterprise internal major business matters, has the very obvious complexity and instability characteristics, which contains the diversification of enterprise develo...Enterprise merger and reorganization this link as an enterprise internal major business matters, has the very obvious complexity and instability characteristics, which contains the diversification of enterprise development risk, in addition to the basis of business instability characteristics, the enterprise mergers and acquisitions and facing the future management risk, price risk and financial risk and other forms of risk. Based on this background, for enterprise major risks to prevent and resolve, has become the key link to promote the sustainable development of the enterprise, and the enterprise of the internal control system construction as a key part of the risk management, through the construction of good internal control system, also can be in the process of compatible restructuring and strategic combination, effectively prevent enterprise development risk. In this regard, based on the basic overview of enterprise merger and acquisition and internal control, this paper focuses on how to complete the connection of the internal control system under the background of enterprise merger and reorganization.展开更多
Background:Pistacia chinensis Bunge has been traditionally used to manage various conditions,including asthma,pain,inflammation,hepatoprotection,and diabetes.The study was conducted to investigate the antioxidant and ...Background:Pistacia chinensis Bunge has been traditionally used to manage various conditions,including asthma,pain,inflammation,hepatoprotection,and diabetes.The study was conducted to investigate the antioxidant and anti-lipoxygenase(LOX)properties of the isolated compound 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one from Pistacia chinensis.Methods:LOX assay and antioxidant activity using 2,2-diphenyl-1-picrylhydrazyl(DPPH)assay were performed.Molecular docking studies were conducted using a molecular operating environment.Results:The LOX assay revealed significant inhibitory effects at 0.2µM concentration,with an IC50 value of 37.80µM.The antioxidant effect demonstrated dose-dependency across 5 to 100µg/mL concentrations,reaching 93.09%at 100µg/mL,comparable to ascorbic acid’s 95.43%effect.Molecular docking studies highlighted strong interactions with the lipoxygenase enzyme,presenting an excellent docking score of-10.98 kcal/mol.Conclusion:These findings provide valuable insights into Pistacia chinensis’chemical components and biological effects,reinforcing its traditional medicinal applications.展开更多
Background:In this present study,we have screened major phytoconstituents of Nilavembu Kudineer against critical COVID-19 target proteins that cause severe pneumonia globally.In addition,a human receptor protein that ...Background:In this present study,we have screened major phytoconstituents of Nilavembu Kudineer against critical COVID-19 target proteins that cause severe pneumonia globally.In addition,a human receptor protein that facilitates viral entry into the host cell was also targeted.Methods:Phytoconstituents derived from Nilavembu Kudineer formulation were docked against 12 major proteins,which help viral entry,viral proliferation,and a human receptor facilitate the viral entry into the host cells.The major metabolites of Nilavembu Kudineer were retrieved based on literature from the PubChem database.The docked complex was subjected to MD simulation studies to verify its binding mode and the stability of the interactions.The binding energy analysis was performed to estimate the binding affinity between the compounds and their respective receptors using MM/GBSA.Results:Docking studies have shown that three major plants in the polyherbal formulation,Andrographis paniculata,Mollugo cerviana,and Zingiber officinale,have 14 potential compounds that have better binding affinity against COVID-19 proteins and their host receptor protein.MD studies and binding energy calculations also confirmed that these compounds possess better stability and strong binding energy with these proteins.Conclusion:In silico analyses suggest that phytoconstituents from Nilavembu Kudineer possess promising multi-target antiviral activity against COVID-19.These findings provide a rationale for further experimental studies to validate their therapeutic potential for the treatment of COVID-19.展开更多
Pimpinella anisum,commonly known as anise,is generally used in both folk medicine and the culinary world.In traditional medicine,it is valued for its digestive,respiratory,and antispasmodic properties.This study aims ...Pimpinella anisum,commonly known as anise,is generally used in both folk medicine and the culinary world.In traditional medicine,it is valued for its digestive,respiratory,and antispasmodic properties.This study aims to examine the volatile compounds and antibacterial effect of P.anisum essential oil(PAEO)as well as for the first time its genotoxicity employing both in vitro and computational approaches.Gas chromatography-mass spectrometry(GC-MS)analysis identified anethole as the principal compound,which comprises 92.47%of PAEO.PAEO was tested for its potential antibacterial properties against Bacillus subtilis ATCC 6633,Listeria innocua ATCC 33090,Staphylococcus aureus ATCC 29213,Klebsiella aerogenes ATCC 13048,and a clinical strain of Salmonella enterica serotype Typhi.PAEO displayed noteworthy antibacterial action toward all tested bacteria,especially Staphylococcus aureus,with an inhibition zone of 21.43±0.87 mm,as determined by the disc-diffusion test.Varied between 0.0625%and 2%v/v,while the MBC values ranged from 0.125%to 8%v/v,reflecting the strength of the tested EO.The MBC/MIC ratios indicated the bactericidal nature of PAEO.The results of molecular docking revealed strong binding interactions between key PAEO molecules and microbial target proteins.ADMET(Absorption,Distribution,Metabolism,Excretion,and Toxicity)analysis confirmed favorable pharmacokinetic properties,indicating its potential as a safe therapeutic agent.Additionally,genotoxicity was assessed using the comet assay,which demonstrated minimal genotoxic risk,affirming the oil’s safety.These results highlight the promising antimicrobial properties of PAEO and its possible use as an active agent in the pharmacy,food,and cosmetic sectors.展开更多
To elucidate the mechanisms underlying the therapeutic effects of the herbal medicine pair Smilax Glabra and Semen Coicis in treating gout and hyperuricemia,a comprehensive analysis was conducted using network pharmac...To elucidate the mechanisms underlying the therapeutic effects of the herbal medicine pair Smilax Glabra and Semen Coicis in treating gout and hyperuricemia,a comprehensive analysis was conducted using network pharmacology and molecular docking methods.Disease-associated targets for gout and hyperuricemia were identified from the GeneCards,OMIM,Disgenet,and TTD databases,while the key active components and their corresponding targets for Smilax Glabra and Semen Coicis were obtained from the TCSMP database.The intersection of these targets enabled the construction of a protein-protein interaction(PPI)network,which was subsequently visualized and analyzed.Core targets were further subjected to Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses to elucidate the biological processes and pathways involved.Molecular docking was then employed to validate the reliability of the interactions between the active components and the identified targets.The analysis revealed that Smilax Glabra and Semen Coicis contained 15 bioactive components that interacted with 393 potential targets,while gout and hyperuricemia were associated with 660 targets in total.The primary active compounds implicated in treating these conditions included diosgenin,quercetin,and naringenin,which were found to interact with crucial hub targets such as BCL2,CASP3,and MAPK3.These interactions suggested that the herbal medicine pair modulated several biological processes,including gland development and the regulation of body fluid levels,through pathways involving membrane rafts,membrane microdomains,and nuclear receptor activities.Enrichment analyses highlighted their involvement in multiple signaling pathways,such as EGFR tyrosine kinase inhibitor resistance,phospholipase D signaling,and platelet activation.Molecular docking confirmed the strong binding affinities between the hub genes and the major active components,supporting their potential role in therapeutic efficacy.This study demonstrated that Smilax Glabra and Semen Coicis might offer a promising therapeutic strategy for gout and hyperuricemia by targeting multiple molecular components,biological functions,and pathways.The findings underscored the unique potential of traditional Chinese medicine(TCM)in managing complex diseases by leveraging synergistic effects across diverse biological mechanisms.展开更多
Bio-inspired magnetic helical microrobots have great potential for biomedical and micromanipulation applications. Precise interaction with objects in liquid environments is an important prerequisite and challenge for ...Bio-inspired magnetic helical microrobots have great potential for biomedical and micromanipulation applications. Precise interaction with objects in liquid environments is an important prerequisite and challenge for helical microrobots to perform various tasks. In this study, an automatic control method is proposed to realize the axial docking of helical microrobots with arbitrarily placed cylindrical objects in liquid environments. The docking process is divided into ascent, approach, alignment, and insertion stages. First, a 3D docking path is planned according to the positions and orientations of the microrobot and the target object. Second, a steering-based 3D path-following controller guides the helical microrobot to rise away from the container bottom and approach the target along the path. Third, based on path design with gravity compensation and steering output limits, alignment of position and orientation can be accomplished simultaneously. Finally, the helical microrobot completes the docking under the rotating magnetic field along the target orientation. Experiments verified the automatic docking of the helical microrobot with static targets, including connecting with micro-shafts and inserting into micro-tubes. The object grasping of a reconfigurable helical microrobot aided by 3D automatic docking was also demonstrated. This method enables precise docking of helical microrobots with objects, which might be used for capture and sampling, in vivo navigation control, and functional assembly of microrobots.展开更多
BACKGROUND Camellia luteoflora is a unique variety of Camellia in China which is only distributes in Chishui City,Guizhou Province and Luzhou City,Sichuan Province.Its dried leaves are used by local residents as tea t...BACKGROUND Camellia luteoflora is a unique variety of Camellia in China which is only distributes in Chishui City,Guizhou Province and Luzhou City,Sichuan Province.Its dried leaves are used by local residents as tea to drink with light yellow and special aroma for health care.It has high potential economic medicinal value.Colon adenocarcinoma(COAD)is the third most frequent malignancy and its incidence and mortality is increasing.However,the current common treatments for COAD bring great side effects.In recent years,natural products and their various de-rivatives have shown significant potential to supplement conventional therapies and to reduce associated toxicity while improving efficacy.In order to overcome the limitations of traditional treatment methods,the global demand and development of natural anti-COAD drugs were increasingly hindered.AIM To investigate the potential targets and mechanisms of Camellia luteoflora anti-COAD.METHODS Nuclear magnetic resonance and mass spectrometry was used to identified the compounds of Camellia luteoflora.Network pharmacology analysis and survival analysis was used in this study to investigate the anti-COAD effect and mechanism of Camellia luteoflora.RESULTS Firstly,a total of 13 compounds were identified.Secondly,10 active ingredients for 204 potential targets were screened and protein-protein interaction analysis showed that TP53,STAT3,ESR1,MAPK8,AKR1C3,RELA,CYP19A1,CYP1A1,JUN and CYP17A1 were hub targets.GO and KEGG enrichment analyses revealed that Camellia luteoflora exerted anti-COAD effect through multiple functions and pathways.Then,the analysis of survival and stage indicated that TP53 was highly expressed in COAD and the overall survival of high-TP53 and high-CYP19A1 COAD patients was significantly shorter than the low group and there was significant difference in MAPK and RELA expression between different stages.Finally,the molecular docking results demonstrated the binding affinities and sites between active ingredients and TP53,STAT3,ESR1.CONCLUSION Our study systematically demonstrated the potential anti-COAD mechanism of Camellia luteoflora and provided a theoretical basis for its further application in the COAD treatment.展开更多
Objective To evaluate the in vitro anti-diabetic effects of Bryonia dioica roots extracts,in-cluding water-acetone extracts and their ethyl acetate and butanol fractions,and chloroform-methanol extracts.Methods The to...Objective To evaluate the in vitro anti-diabetic effects of Bryonia dioica roots extracts,in-cluding water-acetone extracts and their ethyl acetate and butanol fractions,and chloroform-methanol extracts.Methods The total phenolic,flavonoid,flavonol,and saponin contents in the Bryonia dioica root extracts(chloroform-methanol extracts,water-acetone extracts and their ethyl acetate and butanol fractions)were determined using colorimetric methods with Folin-Ciocalteu,aluminum trichloride,and vanillin reagents,respectively.The in vitro anti-diabetic activity was evaluated by measuring the half-maximal inhibitory concentration(IC_(50))values of these root extracts againstα-amylase andα-glucosidase activities,evaluating their effects onα-amy-lase kinetics,quantifying the inhibition of bovine serum albumin(BSA)glycation using fluo-rometry to assess advanced glycation end products(AGE)production,and determining glu-cose uptake by isolated rat hemidiaphragm.Additionally,molecular docking analysis was conducted to investigate the binding affinity and interaction types between Bryonia dioica lig-ands(cucurbitacin B,bryogénin,vitexin,and isovitexin)and target enzymes,and a phyto-chemical-targets interaction network was constructed.Results Forα-amylase inhibition,ethyl acetate fraction demonstrated the most potent activi-ty(IC_(50)=145.95μg/mL),followed by chloroform-methanol extract(IC_(50)=300.86μg/mL).Water-acetone root extracts and their ethyl acetate and butanol fractions inhibited theα-glucosidase activity with IC50 values ranging from 562.88 to 583.90μg/mL.Both ethyl acetate and butanol fractions strongly inhibited non-enzymatic BSA glycation(IC_(50)=318.26 and 323.12μg/mL,respectively).The incubation of isolated rat hemidiaphragms with the ethyl acetate fraction(5 mg/mL)significantly increased glucose uptake(35.16%;P<0.0001),exceeding the effects of insulin(29.27%),chloroform-methanol extract(24.07%),and catechin(15.27%).Molecular docking revealed that cucurbitacin B exhibited the strongest docking scores againstα-amylase(-16.4 kcal/mol),andα-glucosidase(-14.2 kcal/mol).Compared with other ligands,isovitexin formed the maximum number of hydrogen bonds with theα-amylase active site residues(Asp300,Asp197,and Glu233),α-glucosidase residues(Ser13,Arg44,Met86,Gly10,Asp39,and Tyr131)and other residues(Arg195,Trp59,His299,and Tyr62).Network analysis identified 36 overlapping targets between Bryonia dioica phyto-chemicals and type 2 diabetes mellitus-associated genes,with cucurbitacins and polyphenols interacting withα-amylase,α-glucosidase,and Glut4 translocation pathway targets.Conclusion Bryonia dioica root extracts demonstrated promising in vitro anti-diabetic activi-ty through multiple mechanisms,including the inhibitory effect on digestive enzymes,pro-tein antiglycation potential,and enhancement of glucose uptake,suggesting their potential as a source for anti-diabetic drugs development.展开更多
Background:Pistacia integerrima,a cornerstone of traditional medicine,is renowned for its therapeutic applications against various health conditions,including cancer and hepatitis.This study investigates the pharmacol...Background:Pistacia integerrima,a cornerstone of traditional medicine,is renowned for its therapeutic applications against various health conditions,including cancer and hepatitis.This study investigates the pharmacological potential of bioactive compounds derived from Pistacia integerrima in inhibiting 5-lipoxygenase(5-LOX),a key enzyme implicated in inflammation and cancer progression.The current study aimed to evaluate the lipoxygenase inhibitory activity of bioactive compounds from Pistacia integerrima and assess their potential for therapeutic development in the context of inflammation and cancer treatment.Methods:Three major compounds-spinacetin(1),patuletin(2),and pistagremic acid(3)-were isolated from Pistacia integerrima and analyzed for their lipoxygenase inhibitory activity.Biochemical assays and molecular docking studies were performed to assess their effectiveness in inhibiting 5-LOX.Results:All three compounds demonstrated significant inhibition of lipoxygenase activity.Spinacetin(1)and patuletin(2)exhibited the most potent inhibitory effects,with IC_(50)values of 40.34μM and 45.04μM,respectively.Molecular docking studies revealed that patuletin(2)had the highest binding affinity(−7.717 kcal/mol)against 5-LOX,followed by spinacetin(1)with a binding affinity of−6.074 kcal/mol.In-depth in silico analysis highlighted the drug-likeness of spinacetin(1)and its favorable toxicological profile,suggesting its suitability for therapeutic development.Conclusion:The study demonstrates that compounds from Pistacia integerrima,particularly spinacetin and patuletin,have significant lipoxygenase inhibitory activity,with spinacetin showing promise as a lead candidate for lipoxygenase-targeted therapies.The findings reinforce the therapeutic relevance of Pistacia integerrima and suggest that its bioactive compounds may serve as safer,plant-based alternatives to conventional anti-inflammatory and anticancer treatments.展开更多
To investigate the targets and mechanism of Hedysarum Multijugum Maxim(HMM)in treatment of bladder cancer(BC).Based on Traditional Chinese Medicine Systems Pharmacology(TCMSP)and gene databases,active substances and p...To investigate the targets and mechanism of Hedysarum Multijugum Maxim(HMM)in treatment of bladder cancer(BC).Based on Traditional Chinese Medicine Systems Pharmacology(TCMSP)and gene databases,active substances and potential targets of HMM were screened,and the HMM-active substances-targets-BC(HATB)regulatory network and PPI network were constructed.Hub targets were screened by Cytoscape.The main active substances and Hub targets were molecularly docked with AutoDock and visualized by PyMOL.12 Hub targets were screened.Molecular docking showed that active substances mainly acted on MAPK14,MAPK1 and CCND1.The bindings of calycosin to MAPK14,formononetin to MAPK14,and calycosin to CCND1 were stable.展开更多
The aim of this study was to explore the mechanism of action of sea buckthorn polyphenols in the treatment of hyperlipidemia through network pharmacology and molecular docking.The TCMSP pharmacology database was used ...The aim of this study was to explore the mechanism of action of sea buckthorn polyphenols in the treatment of hyperlipidemia through network pharmacology and molecular docking.The TCMSP pharmacology database was used to screen the polyphenols present in sea buckthorn,and then the SwissTargetPrediction and Uniprot databases were used to obtain the potential targets of sea buckthorn polyphenols,which were supplemented by the literature.In total,7 polyphenols and 154 potential targets were obtained.Through GeneCards,OMIM database,1358 hyperlipidemia-related targets were collected.We found that there were 101 targets at the intersection of components and diseases.Through GO and KEGG enrichment analysis,27 core targets were obtained,which were AKT1,TNF,TP53,IL-6,etc.in order of degree value.174 pathways were obtained from KEGG enrichment analysis,including AGE-RAGE signaling pathway in diabetic complications,fl uid shear stress and atherosclerosis,lipid and atherosclerosis,etc.The molecular docking of the main components to the targets was performed using OpenBabelGUI,AutoDockTools-1.5.6 software.Finally,the results were visualized using Cytoscape 3.9.1 software.The molecular docking results showed that sea buckthorn polyphenols have good binding ability with the key targets.Among them,such as quercetin and kaempferol,have good binding ability with TNF,TP53 and IL-6.For example,TNF binds to quercetin with a binding energy of-5.34 kcal/mol and to kaempferol with a binding energy of-6.22 kcal/mol;TP53 binds to kaempferol with a binding energy of-5.32 kcal/mol;IL-6 binds to quercetin with a binding energy of-5.62 kcal/mol,etc.Therefore,the network pharmacology study showed that the treatment of hyperlipidemia by sea buckthorn polyphenols can be realized by multi-component-multi-target-multi-pathway together,which provides some reference for the later study of sea buckthorn polyphenols in the treatment of hyperlipidemia.展开更多
The advantageous magnetic,optical,and antibacterial properties of magnetic nanoparticles have recently drawn a lot of attention in the field of biomedicine.One of the most famous super paramagnetic materials,nanoferri...The advantageous magnetic,optical,and antibacterial properties of magnetic nanoparticles have recently drawn a lot of attention in the field of biomedicine.One of the most famous super paramagnetic materials,nanoferrite,is made up of two types of spinel structures:inverse and normal.Cobalt ferrite's inverse spinel structure offers several benefits,including excellent magnetostrictivity,good coupling efficiency,and inexpensive cost.This study's objective is to synthesize,characterize,and investigate the characteristics of the electrochemical properties of Co_(x)Fe_(1-x)Fe_(2)O_(4)/Fe_(2)O_(3)(x=0.30 and 0.77)nanoparticles using the chemical co-precipitation method.The physical properties of the produced nanoparticles were investigated using x-ray diffraction(XRD),transmission electron microscopy(TEM),and a vibrating sample magnetometer(VSM).The band gap properties of magneto-nano powders,including the direct and indirect band gap energies,and Urbach energy,are found.Scanning electron microscopy showed the presence of spherical nanoparticles ranging from 20.7 nm-23.7 nm.The analysis of Co_(x)Fe_(1-x)Fe_(2)O_(4)/Fe_(2)O_(3)(x=0.30 and 0.77)nanoparticles,for instance,reveals differences in their surface characteristics that are significant for their potential applications.Parameters like dnorm,de,and di,along with shape index and curvedness,contribute to a comprehensive understanding of the molecular surface,which is crucial for the design of new materials with desired physical and chemical properties.Molecular docking studies have revealed promising interactions between certain crystals and DNA gyrase,mirroring the binding mode of known inhibitors.This suggests potential for these crystals to serve as antimicrobial agents in future research.Such findings are crucial as they contribute to the development of new treatments against antibiotic-resistant bacteria,a growing global health concern.展开更多
Background:Sensitive skin affects a substantial portion of the global population and has significant implications for skin health and well-being.In addition to unpleasant sensory effects,individuals with sensitive ski...Background:Sensitive skin affects a substantial portion of the global population and has significant implications for skin health and well-being.In addition to unpleasant sensory effects,individuals with sensitive skin were likely to be more susceptible to hyperpigmentation.However,the association between sensitive skin and hyperpigmentation,as well as the underlying molecular mechanisms,remain unclear.Objective:This study aims to investigate the correlation and intrinsic mechanisms between sensitive skin and hyperpigmentation through network pharmacology combined with molecular docking.Materials and Methods:The targets associated with sensitive skin and hyperpigmentation were collected from the human gene database,GeneCards.Subsequently,the protein-protein interaction(PPI)network,Kyoto Encyclopedia of Genes and Genomes(KEGG),and Gene Ontology(GO)enrichment analysis were performed to explore the biological connections between sensitive skin and hyperpigmentation.Additionally,the targets of 15 active compounds with reported lightening effects were collected from TCMSP,BATMAN and SymMap databases.Target analysis and molecular docking were performed to identify potential candidates for addressing hyperpigmentation on sensitive skin.The anti-melanogenesis effect of the identified candidate was verified in B16F10 cells.Results:A total of 16971 sensitive skin targets and 11382 hyperpigmentation targets were screened,and 9693 overlapping targets were identified,with a core set comprising 164 targets.The combination of PPI network,KEGG and GO analysis revealed the key role of tyrosinase and immune-mediated inflammation in pigmentation on sensitive skin.Among the 15 active compounds,oxyresveratrol was identified as having a high correlation with the core set targets and predicted strong inhibition of Tyrosine-protein Kinase Kit.The application of oxyresveratrol exhibited a dose-dependent suppression of melanin production in B16F10 cells.Conclusion:This study suggested the crucial roles of immune-mediated inflammation in sensitive skin and hyperpigmentation,as well as highlighted the potential of oxyresveratrol in addressing hyperpigmentation on sensitive skin.These comprehensive findings provide a deeper understanding of the connection mechanism between sensitive skin and hyperpigmentation,offering new insights for the development of targeted treatments and interventions.展开更多
The inflammatory response is a crucial physiological process that can lead to tissue damage and is considered a causative factor for various chronic diseases,such as rheumatoid arthritis.Recent research has focused on...The inflammatory response is a crucial physiological process that can lead to tissue damage and is considered a causative factor for various chronic diseases,such as rheumatoid arthritis.Recent research has focused on exploring valuable nutrients derived from Cannabis sativa L.(hemp)seeds,particularly hemp seed proteins.Therefore,this study aimed to investigate the release of anti-inflammatory peptides from Lactobacillus paraplantarum-fermented hemp seed proteins.To confirm the complete hydrolysis of hemp seed proteins during the fermentation process,sodium dodecyl sulfate-polyacrylamide gel electrophoresis(SDS-PAGE)was employed.Further,the isolation and purification of peptides were achieved through ultrafiltration.The identity of peptides was nextly established using ultra-high performance liquid chromatography coupled with hybrid quadrupole time-of-flight mass spectrometry(UHPLC-QTOF-MS).The results revealed a total of 39 identified peptides in fermented hemp seeds,with 9 peptides selected based on their relative quantity.Notably,AAELIGVP(P1),AAVPYPQ(P2),VFPEVAP(P4),DVIGVPLG(P6),and PVPKVL(P9)demonstrated strong anti-inflammatory abilities in lipopolysaccharide(LPS)-induced RAW264.7 macrophage cells.Molecular docking was used to understand the potential anti-inflammatory mechanism of these 5 peptides,and in silico results indicated that P1,P2,P4,P6,and P9 could bind to the active sites of toll-like receptor 4(TLR-4),nuclear factor-κB(NF-κB),and inhibitor of NF-κB kinase(IKK)with higher binding energies.Overall,these findings indicate that hemp seeds have potential to be a source of bioactive peptides for functional foods with anti-inflammatory properties.展开更多
基金supported in part by the National Natural Science Foundation of China (Nos. 91216201, 51205403)
文摘Recent developments in micro- and nano-satellites have attracted the interest of the research community worldwide. Many colleges and corporations have launched their satellites in space. Meanwhile, the space flexible probe-cone docking system for micro- and nano-satellites has become an attractive topic. In this paper, a dynamic model of a space flexible probe-cone dock- ing system, in which the flexible beam technology is applied, is built based on the Kane method. The curves of impact force versus time are obtained by the Lagrange model, the Kane model, and the experimental method. The Lagrange model was presented in the reference and verified by both finite element simulation and experiment. The results of the three methods show good agreements on the condition that the beam flexibility and the initial relative velocity change. It is worth mentioning that the introduction of vectorial mechanics and analytical mechanics in the Kane method leads to a large reduction of differential operations and makes the modeling process much easier than that of the Lagrange method. Moreover, the influences of the beam flexibility and the initial relative velocity are discussed. It is concluded that the initial relative velocity of space docking operation should be controlled to a certain value in order to protect the docking system.
基金supported by the National Science and Technology Council,Taiwan[Grant NSTC 111-2628-E-006-005-MY3]supported by the Ocean Affairs Council,Taiwansponsored in part by Higher Education Sprout Project,Ministry of Education to the Headquarters of University Advancement at National Cheng Kung University(NCKU).
文摘This study proposes an automatic control system for Autonomous Underwater Vehicle(AUV)docking,utilizing a digital twin(DT)environment based on the HoloOcean platform,which integrates six-degree-of-freedom(6-DOF)motion equations and hydrodynamic coefficients to create a realistic simulation.Although conventional model-based and visual servoing approaches often struggle in dynamic underwater environments due to limited adaptability and extensive parameter tuning requirements,deep reinforcement learning(DRL)offers a promising alternative.In the positioning stage,the Twin Delayed Deep Deterministic Policy Gradient(TD3)algorithm is employed for synchronized depth and heading control,which offers stable training,reduced overestimation bias,and superior handling of continuous control compared to other DRL methods.During the searching stage,zig-zag heading motion combined with a state-of-the-art object detection algorithm facilitates docking station localization.For the docking stage,this study proposes an innovative Image-based DDPG(I-DDPG),enhanced and trained in a Unity-MATLAB simulation environment,to achieve visual target tracking.Furthermore,integrating a DT environment enables efficient and safe policy training,reduces dependence on costly real-world tests,and improves sim-to-real transfer performance.Both simulation and real-world experiments were conducted,demonstrating the effectiveness of the system in improving AUV control strategies and supporting the transition from simulation to real-world operations in underwater environments.The results highlight the scalability and robustness of the proposed system,as evidenced by the TD3 controller achieving 25%less oscillation than the adaptive fuzzy controller when reaching the target depth,thereby demonstrating superior stability,accuracy,and potential for broader and more complex autonomous underwater tasks.
基金Supported by the National Natural Science Foundation of China(51475116)。
文摘A manipulator-type docking hardware-in-the-loop(HIL)simulation system is proposed in this paper,with further development of the space docking technology and corresponding requirements of the engineering project.First,the structure of the manipulator-type HIL simulation system is explained.The mass and the flexibility of the manipulator has an important influence on the stability of the HIL system,which is the premise of accurately simulating actual space docking.Thus,the docking HIL simulation models of rigid,flexible and flexible-light space manipulators are established.The characteristics of the three HIL systems are studied from three important aspects:the system parameter configuration relation,the system stability condition and the dynamics frequency simulation ability.The key conclusions obtained were that the system satisfies stability or reproduction accuracy.Meanwhile,the influence of different manipulators on the system stability is further analyzed.The accuracy of the calculated results is verified experimentally.
基金Supported by Suzhou Science and Technology Development Plan project (SKY2022206)The Ninth Batch of Suzhou Gusu Health Key Talents Project (GSWS2022107).
文摘[Objectives]To explore the molecular mechanisms of Yinqiao anti-epidemic formula(YQAEF)in regulating mucosal immune system of respiratory tract.[Methods]The active components of YQAEF were obtained from the TCMSP database,and RMIS targets were obtained from the GeneCards database.A"YQAEF components-RMIS targets-pathways"network was constructed by analyzing the above data to screen core targets for molecular docking verification.A mouse model of acute upper respiratory tract infection(AURI)was developed.Based on the experimental models,the key pathway target genes screened by network pharmacology were verified in vivo.[Results]The main active components of YQAEF involved in the regulation of the RMIS included quercetin,acetic acid,and raffinose.Key targets,such as angiotensin-converting enzyme(ACE),galactosidase alpha(GLA),matrix metalloproteinase 2(MMP2),Serpin Family E Member 1(SERPINE1),and myeloperoxidase(MPO)and important viral infection and endocrine resistance signaling pathways were included in the regulation of the RMIS with YQAEF.Molecular docking assays showed that the key targets had good binding activities with the components of YQAEF.Based on the results of network pharmacology,key target proteins in ACE,GLA,MMP2,SERPINE1,and MPO were selected for experimental verification.The results showed that ACE/ACE2 and MPO expressions were increased in the oral and throat mucosa of the AURI mice.Under YQAEF treatment,the expression levels of ACE/ACE2 and MPO were decreased.[Conclusions]This study revealed the mechanism of YQAEF in the regulation of RMIS,which is associated with multiple components,targets,and pathways.Further experiments confirmed that YQAEF interfered with MPO and ACE/ACE2 signaling pathways to regulate the RMIS in the oral and throat mucosa tissue of mice with AURI,and provide a new direction for exploring the potential antiviral mechanism of YQAEF.
基金supported by the National Key R&D Program of China(Grant No.2018YFB1304600)the CAS Interdisciplinary Innovation Team(Grant No.JCTD-2018-11)the National Natural Science Foundation of China(Grant No.51775541)。
文摘Aromatic hydrocarbons generally refer to compounds containing benzene rings.Many types of isomers can be formed by replacing hydrogen atoms on the benzene ring.In this paper,an aromatic-hydrocarbon-inspired modular robot(AHIMR)is proposed.The robot can be reassembled into different configurations suitable for various task requirements.A vision-based docking system is designed for the AHIMR.The system primarily consists of two stages:a remote guidance stage and a precise docking stage.During the remote guidance stage,an object module is identified using an illumination adaptive target recognition algorithm,and then the active module moves to the docking area through communication with ZigBee.In the precise docking stage,the active module calculates the relative pose with the object module using a perspective-n-point method and dynamically adjusts its posture to dock.In this process,a Kalman filter is used to reduce target occlusion and jitter interference.In addition,the docking system feasibility is verified via several simulation experiments.The module docking accuracy is controlled within 0.01 m,which meets the reconfiguration task requirements of the AHIMR.In the AHIMR submodule docking experiment,the active module accurately moves to the expected position with a docking success rate of 95%.
基金National Natural Science Foundation of China(No.81774300)National Natural Science Foundation of China-Henan Joint Fund Project(No.U1704191)。
文摘Objective:To explore the molecular mechanism of Capparis spinosa in the treatment of systemic sclerosis((SSC))based on network pharmacology.Methods:GEO,Genecards,Pharmgkb,TTD and Drugbank databases were used to obtain SSC targets,related literatures and Swisstargetprediction databases were used to obtain the main components of Citrus and their corresponding targets,and intersection was used to obtain prediction targets.Log in to the String database to analyze the protein interaction of the prediction target(PPI),further used Cytoscape to obtain the core gene by network topology analysis,and the core gene was docked with the main components of Capparis spinosa.The prediction targets were analyzed by gene ontology(GO)analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway analysis using R software.Results:A total of 15 active components and their targets were obtained,3171 SSC targets were obtained,and 66 predicted targets were obtained by intersection.Ten PPI core genes such as VEGFA,TNF,AKT1,PTGS2 and MMP9 were obtained by topological analysis.GO analysis involved many biological processes such as reactive oxygen species metabolic process、protein kinase B signaling、regulation of inflammatory response、phosphatidylinositol 3-kinase signaling and so on.KEGG pathway analysis showed PI3K-Akt signaling pathway,Proteoglycans in cancer,Focal adhesion,Rap1 signaling pathway and other signaling pathways.Conclusion:The molecular mechanism of Capparis spinosa in the treatment of SSC is predicted by the method of network pharmacology,which provides theoretical basis and data support for the basic research of Citrus officinalis in the treatment of SSC.
文摘Enterprise merger and reorganization this link as an enterprise internal major business matters, has the very obvious complexity and instability characteristics, which contains the diversification of enterprise development risk, in addition to the basis of business instability characteristics, the enterprise mergers and acquisitions and facing the future management risk, price risk and financial risk and other forms of risk. Based on this background, for enterprise major risks to prevent and resolve, has become the key link to promote the sustainable development of the enterprise, and the enterprise of the internal control system construction as a key part of the risk management, through the construction of good internal control system, also can be in the process of compatible restructuring and strategic combination, effectively prevent enterprise development risk. In this regard, based on the basic overview of enterprise merger and acquisition and internal control, this paper focuses on how to complete the connection of the internal control system under the background of enterprise merger and reorganization.
文摘Background:Pistacia chinensis Bunge has been traditionally used to manage various conditions,including asthma,pain,inflammation,hepatoprotection,and diabetes.The study was conducted to investigate the antioxidant and anti-lipoxygenase(LOX)properties of the isolated compound 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one from Pistacia chinensis.Methods:LOX assay and antioxidant activity using 2,2-diphenyl-1-picrylhydrazyl(DPPH)assay were performed.Molecular docking studies were conducted using a molecular operating environment.Results:The LOX assay revealed significant inhibitory effects at 0.2µM concentration,with an IC50 value of 37.80µM.The antioxidant effect demonstrated dose-dependency across 5 to 100µg/mL concentrations,reaching 93.09%at 100µg/mL,comparable to ascorbic acid’s 95.43%effect.Molecular docking studies highlighted strong interactions with the lipoxygenase enzyme,presenting an excellent docking score of-10.98 kcal/mol.Conclusion:These findings provide valuable insights into Pistacia chinensis’chemical components and biological effects,reinforcing its traditional medicinal applications.
文摘Background:In this present study,we have screened major phytoconstituents of Nilavembu Kudineer against critical COVID-19 target proteins that cause severe pneumonia globally.In addition,a human receptor protein that facilitates viral entry into the host cell was also targeted.Methods:Phytoconstituents derived from Nilavembu Kudineer formulation were docked against 12 major proteins,which help viral entry,viral proliferation,and a human receptor facilitate the viral entry into the host cells.The major metabolites of Nilavembu Kudineer were retrieved based on literature from the PubChem database.The docked complex was subjected to MD simulation studies to verify its binding mode and the stability of the interactions.The binding energy analysis was performed to estimate the binding affinity between the compounds and their respective receptors using MM/GBSA.Results:Docking studies have shown that three major plants in the polyherbal formulation,Andrographis paniculata,Mollugo cerviana,and Zingiber officinale,have 14 potential compounds that have better binding affinity against COVID-19 proteins and their host receptor protein.MD studies and binding energy calculations also confirmed that these compounds possess better stability and strong binding energy with these proteins.Conclusion:In silico analyses suggest that phytoconstituents from Nilavembu Kudineer possess promising multi-target antiviral activity against COVID-19.These findings provide a rationale for further experimental studies to validate their therapeutic potential for the treatment of COVID-19.
文摘Pimpinella anisum,commonly known as anise,is generally used in both folk medicine and the culinary world.In traditional medicine,it is valued for its digestive,respiratory,and antispasmodic properties.This study aims to examine the volatile compounds and antibacterial effect of P.anisum essential oil(PAEO)as well as for the first time its genotoxicity employing both in vitro and computational approaches.Gas chromatography-mass spectrometry(GC-MS)analysis identified anethole as the principal compound,which comprises 92.47%of PAEO.PAEO was tested for its potential antibacterial properties against Bacillus subtilis ATCC 6633,Listeria innocua ATCC 33090,Staphylococcus aureus ATCC 29213,Klebsiella aerogenes ATCC 13048,and a clinical strain of Salmonella enterica serotype Typhi.PAEO displayed noteworthy antibacterial action toward all tested bacteria,especially Staphylococcus aureus,with an inhibition zone of 21.43±0.87 mm,as determined by the disc-diffusion test.Varied between 0.0625%and 2%v/v,while the MBC values ranged from 0.125%to 8%v/v,reflecting the strength of the tested EO.The MBC/MIC ratios indicated the bactericidal nature of PAEO.The results of molecular docking revealed strong binding interactions between key PAEO molecules and microbial target proteins.ADMET(Absorption,Distribution,Metabolism,Excretion,and Toxicity)analysis confirmed favorable pharmacokinetic properties,indicating its potential as a safe therapeutic agent.Additionally,genotoxicity was assessed using the comet assay,which demonstrated minimal genotoxic risk,affirming the oil’s safety.These results highlight the promising antimicrobial properties of PAEO and its possible use as an active agent in the pharmacy,food,and cosmetic sectors.
文摘To elucidate the mechanisms underlying the therapeutic effects of the herbal medicine pair Smilax Glabra and Semen Coicis in treating gout and hyperuricemia,a comprehensive analysis was conducted using network pharmacology and molecular docking methods.Disease-associated targets for gout and hyperuricemia were identified from the GeneCards,OMIM,Disgenet,and TTD databases,while the key active components and their corresponding targets for Smilax Glabra and Semen Coicis were obtained from the TCSMP database.The intersection of these targets enabled the construction of a protein-protein interaction(PPI)network,which was subsequently visualized and analyzed.Core targets were further subjected to Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses to elucidate the biological processes and pathways involved.Molecular docking was then employed to validate the reliability of the interactions between the active components and the identified targets.The analysis revealed that Smilax Glabra and Semen Coicis contained 15 bioactive components that interacted with 393 potential targets,while gout and hyperuricemia were associated with 660 targets in total.The primary active compounds implicated in treating these conditions included diosgenin,quercetin,and naringenin,which were found to interact with crucial hub targets such as BCL2,CASP3,and MAPK3.These interactions suggested that the herbal medicine pair modulated several biological processes,including gland development and the regulation of body fluid levels,through pathways involving membrane rafts,membrane microdomains,and nuclear receptor activities.Enrichment analyses highlighted their involvement in multiple signaling pathways,such as EGFR tyrosine kinase inhibitor resistance,phospholipase D signaling,and platelet activation.Molecular docking confirmed the strong binding affinities between the hub genes and the major active components,supporting their potential role in therapeutic efficacy.This study demonstrated that Smilax Glabra and Semen Coicis might offer a promising therapeutic strategy for gout and hyperuricemia by targeting multiple molecular components,biological functions,and pathways.The findings underscored the unique potential of traditional Chinese medicine(TCM)in managing complex diseases by leveraging synergistic effects across diverse biological mechanisms.
基金supported by the National Natural Science Foundation of China(No.62273117)Pre-research Task(No.SKLRS202418B)of State Key Laboratory of Robotics and Systems(HIT).
文摘Bio-inspired magnetic helical microrobots have great potential for biomedical and micromanipulation applications. Precise interaction with objects in liquid environments is an important prerequisite and challenge for helical microrobots to perform various tasks. In this study, an automatic control method is proposed to realize the axial docking of helical microrobots with arbitrarily placed cylindrical objects in liquid environments. The docking process is divided into ascent, approach, alignment, and insertion stages. First, a 3D docking path is planned according to the positions and orientations of the microrobot and the target object. Second, a steering-based 3D path-following controller guides the helical microrobot to rise away from the container bottom and approach the target along the path. Third, based on path design with gravity compensation and steering output limits, alignment of position and orientation can be accomplished simultaneously. Finally, the helical microrobot completes the docking under the rotating magnetic field along the target orientation. Experiments verified the automatic docking of the helical microrobot with static targets, including connecting with micro-shafts and inserting into micro-tubes. The object grasping of a reconfigurable helical microrobot aided by 3D automatic docking was also demonstrated. This method enables precise docking of helical microrobots with objects, which might be used for capture and sampling, in vivo navigation control, and functional assembly of microrobots.
基金Supported by Guizhou Provincial Basic Research Program(Natural Science),No.ZK[2023]-554and the National Natural Science Foundation of China,No.32360144.
文摘BACKGROUND Camellia luteoflora is a unique variety of Camellia in China which is only distributes in Chishui City,Guizhou Province and Luzhou City,Sichuan Province.Its dried leaves are used by local residents as tea to drink with light yellow and special aroma for health care.It has high potential economic medicinal value.Colon adenocarcinoma(COAD)is the third most frequent malignancy and its incidence and mortality is increasing.However,the current common treatments for COAD bring great side effects.In recent years,natural products and their various de-rivatives have shown significant potential to supplement conventional therapies and to reduce associated toxicity while improving efficacy.In order to overcome the limitations of traditional treatment methods,the global demand and development of natural anti-COAD drugs were increasingly hindered.AIM To investigate the potential targets and mechanisms of Camellia luteoflora anti-COAD.METHODS Nuclear magnetic resonance and mass spectrometry was used to identified the compounds of Camellia luteoflora.Network pharmacology analysis and survival analysis was used in this study to investigate the anti-COAD effect and mechanism of Camellia luteoflora.RESULTS Firstly,a total of 13 compounds were identified.Secondly,10 active ingredients for 204 potential targets were screened and protein-protein interaction analysis showed that TP53,STAT3,ESR1,MAPK8,AKR1C3,RELA,CYP19A1,CYP1A1,JUN and CYP17A1 were hub targets.GO and KEGG enrichment analyses revealed that Camellia luteoflora exerted anti-COAD effect through multiple functions and pathways.Then,the analysis of survival and stage indicated that TP53 was highly expressed in COAD and the overall survival of high-TP53 and high-CYP19A1 COAD patients was significantly shorter than the low group and there was significant difference in MAPK and RELA expression between different stages.Finally,the molecular docking results demonstrated the binding affinities and sites between active ingredients and TP53,STAT3,ESR1.CONCLUSION Our study systematically demonstrated the potential anti-COAD mechanism of Camellia luteoflora and provided a theoretical basis for its further application in the COAD treatment.
文摘Objective To evaluate the in vitro anti-diabetic effects of Bryonia dioica roots extracts,in-cluding water-acetone extracts and their ethyl acetate and butanol fractions,and chloroform-methanol extracts.Methods The total phenolic,flavonoid,flavonol,and saponin contents in the Bryonia dioica root extracts(chloroform-methanol extracts,water-acetone extracts and their ethyl acetate and butanol fractions)were determined using colorimetric methods with Folin-Ciocalteu,aluminum trichloride,and vanillin reagents,respectively.The in vitro anti-diabetic activity was evaluated by measuring the half-maximal inhibitory concentration(IC_(50))values of these root extracts againstα-amylase andα-glucosidase activities,evaluating their effects onα-amy-lase kinetics,quantifying the inhibition of bovine serum albumin(BSA)glycation using fluo-rometry to assess advanced glycation end products(AGE)production,and determining glu-cose uptake by isolated rat hemidiaphragm.Additionally,molecular docking analysis was conducted to investigate the binding affinity and interaction types between Bryonia dioica lig-ands(cucurbitacin B,bryogénin,vitexin,and isovitexin)and target enzymes,and a phyto-chemical-targets interaction network was constructed.Results Forα-amylase inhibition,ethyl acetate fraction demonstrated the most potent activi-ty(IC_(50)=145.95μg/mL),followed by chloroform-methanol extract(IC_(50)=300.86μg/mL).Water-acetone root extracts and their ethyl acetate and butanol fractions inhibited theα-glucosidase activity with IC50 values ranging from 562.88 to 583.90μg/mL.Both ethyl acetate and butanol fractions strongly inhibited non-enzymatic BSA glycation(IC_(50)=318.26 and 323.12μg/mL,respectively).The incubation of isolated rat hemidiaphragms with the ethyl acetate fraction(5 mg/mL)significantly increased glucose uptake(35.16%;P<0.0001),exceeding the effects of insulin(29.27%),chloroform-methanol extract(24.07%),and catechin(15.27%).Molecular docking revealed that cucurbitacin B exhibited the strongest docking scores againstα-amylase(-16.4 kcal/mol),andα-glucosidase(-14.2 kcal/mol).Compared with other ligands,isovitexin formed the maximum number of hydrogen bonds with theα-amylase active site residues(Asp300,Asp197,and Glu233),α-glucosidase residues(Ser13,Arg44,Met86,Gly10,Asp39,and Tyr131)and other residues(Arg195,Trp59,His299,and Tyr62).Network analysis identified 36 overlapping targets between Bryonia dioica phyto-chemicals and type 2 diabetes mellitus-associated genes,with cucurbitacins and polyphenols interacting withα-amylase,α-glucosidase,and Glut4 translocation pathway targets.Conclusion Bryonia dioica root extracts demonstrated promising in vitro anti-diabetic activi-ty through multiple mechanisms,including the inhibitory effect on digestive enzymes,pro-tein antiglycation potential,and enhancement of glucose uptake,suggesting their potential as a source for anti-diabetic drugs development.
文摘Background:Pistacia integerrima,a cornerstone of traditional medicine,is renowned for its therapeutic applications against various health conditions,including cancer and hepatitis.This study investigates the pharmacological potential of bioactive compounds derived from Pistacia integerrima in inhibiting 5-lipoxygenase(5-LOX),a key enzyme implicated in inflammation and cancer progression.The current study aimed to evaluate the lipoxygenase inhibitory activity of bioactive compounds from Pistacia integerrima and assess their potential for therapeutic development in the context of inflammation and cancer treatment.Methods:Three major compounds-spinacetin(1),patuletin(2),and pistagremic acid(3)-were isolated from Pistacia integerrima and analyzed for their lipoxygenase inhibitory activity.Biochemical assays and molecular docking studies were performed to assess their effectiveness in inhibiting 5-LOX.Results:All three compounds demonstrated significant inhibition of lipoxygenase activity.Spinacetin(1)and patuletin(2)exhibited the most potent inhibitory effects,with IC_(50)values of 40.34μM and 45.04μM,respectively.Molecular docking studies revealed that patuletin(2)had the highest binding affinity(−7.717 kcal/mol)against 5-LOX,followed by spinacetin(1)with a binding affinity of−6.074 kcal/mol.In-depth in silico analysis highlighted the drug-likeness of spinacetin(1)and its favorable toxicological profile,suggesting its suitability for therapeutic development.Conclusion:The study demonstrates that compounds from Pistacia integerrima,particularly spinacetin and patuletin,have significant lipoxygenase inhibitory activity,with spinacetin showing promise as a lead candidate for lipoxygenase-targeted therapies.The findings reinforce the therapeutic relevance of Pistacia integerrima and suggest that its bioactive compounds may serve as safer,plant-based alternatives to conventional anti-inflammatory and anticancer treatments.
基金2025 Open Experimental Special Fund of Beijing Institute of Technology, “Applications and Practices of R Language in Bioinformatics”。
文摘To investigate the targets and mechanism of Hedysarum Multijugum Maxim(HMM)in treatment of bladder cancer(BC).Based on Traditional Chinese Medicine Systems Pharmacology(TCMSP)and gene databases,active substances and potential targets of HMM were screened,and the HMM-active substances-targets-BC(HATB)regulatory network and PPI network were constructed.Hub targets were screened by Cytoscape.The main active substances and Hub targets were molecularly docked with AutoDock and visualized by PyMOL.12 Hub targets were screened.Molecular docking showed that active substances mainly acted on MAPK14,MAPK1 and CCND1.The bindings of calycosin to MAPK14,formononetin to MAPK14,and calycosin to CCND1 were stable.
基金supported by 2024 Liaoning Province Graduate Education Teaching Reform Research Project(LNYJG2024251).
文摘The aim of this study was to explore the mechanism of action of sea buckthorn polyphenols in the treatment of hyperlipidemia through network pharmacology and molecular docking.The TCMSP pharmacology database was used to screen the polyphenols present in sea buckthorn,and then the SwissTargetPrediction and Uniprot databases were used to obtain the potential targets of sea buckthorn polyphenols,which were supplemented by the literature.In total,7 polyphenols and 154 potential targets were obtained.Through GeneCards,OMIM database,1358 hyperlipidemia-related targets were collected.We found that there were 101 targets at the intersection of components and diseases.Through GO and KEGG enrichment analysis,27 core targets were obtained,which were AKT1,TNF,TP53,IL-6,etc.in order of degree value.174 pathways were obtained from KEGG enrichment analysis,including AGE-RAGE signaling pathway in diabetic complications,fl uid shear stress and atherosclerosis,lipid and atherosclerosis,etc.The molecular docking of the main components to the targets was performed using OpenBabelGUI,AutoDockTools-1.5.6 software.Finally,the results were visualized using Cytoscape 3.9.1 software.The molecular docking results showed that sea buckthorn polyphenols have good binding ability with the key targets.Among them,such as quercetin and kaempferol,have good binding ability with TNF,TP53 and IL-6.For example,TNF binds to quercetin with a binding energy of-5.34 kcal/mol and to kaempferol with a binding energy of-6.22 kcal/mol;TP53 binds to kaempferol with a binding energy of-5.32 kcal/mol;IL-6 binds to quercetin with a binding energy of-5.62 kcal/mol,etc.Therefore,the network pharmacology study showed that the treatment of hyperlipidemia by sea buckthorn polyphenols can be realized by multi-component-multi-target-multi-pathway together,which provides some reference for the later study of sea buckthorn polyphenols in the treatment of hyperlipidemia.
文摘The advantageous magnetic,optical,and antibacterial properties of magnetic nanoparticles have recently drawn a lot of attention in the field of biomedicine.One of the most famous super paramagnetic materials,nanoferrite,is made up of two types of spinel structures:inverse and normal.Cobalt ferrite's inverse spinel structure offers several benefits,including excellent magnetostrictivity,good coupling efficiency,and inexpensive cost.This study's objective is to synthesize,characterize,and investigate the characteristics of the electrochemical properties of Co_(x)Fe_(1-x)Fe_(2)O_(4)/Fe_(2)O_(3)(x=0.30 and 0.77)nanoparticles using the chemical co-precipitation method.The physical properties of the produced nanoparticles were investigated using x-ray diffraction(XRD),transmission electron microscopy(TEM),and a vibrating sample magnetometer(VSM).The band gap properties of magneto-nano powders,including the direct and indirect band gap energies,and Urbach energy,are found.Scanning electron microscopy showed the presence of spherical nanoparticles ranging from 20.7 nm-23.7 nm.The analysis of Co_(x)Fe_(1-x)Fe_(2)O_(4)/Fe_(2)O_(3)(x=0.30 and 0.77)nanoparticles,for instance,reveals differences in their surface characteristics that are significant for their potential applications.Parameters like dnorm,de,and di,along with shape index and curvedness,contribute to a comprehensive understanding of the molecular surface,which is crucial for the design of new materials with desired physical and chemical properties.Molecular docking studies have revealed promising interactions between certain crystals and DNA gyrase,mirroring the binding mode of known inhibitors.This suggests potential for these crystals to serve as antimicrobial agents in future research.Such findings are crucial as they contribute to the development of new treatments against antibiotic-resistant bacteria,a growing global health concern.
文摘Background:Sensitive skin affects a substantial portion of the global population and has significant implications for skin health and well-being.In addition to unpleasant sensory effects,individuals with sensitive skin were likely to be more susceptible to hyperpigmentation.However,the association between sensitive skin and hyperpigmentation,as well as the underlying molecular mechanisms,remain unclear.Objective:This study aims to investigate the correlation and intrinsic mechanisms between sensitive skin and hyperpigmentation through network pharmacology combined with molecular docking.Materials and Methods:The targets associated with sensitive skin and hyperpigmentation were collected from the human gene database,GeneCards.Subsequently,the protein-protein interaction(PPI)network,Kyoto Encyclopedia of Genes and Genomes(KEGG),and Gene Ontology(GO)enrichment analysis were performed to explore the biological connections between sensitive skin and hyperpigmentation.Additionally,the targets of 15 active compounds with reported lightening effects were collected from TCMSP,BATMAN and SymMap databases.Target analysis and molecular docking were performed to identify potential candidates for addressing hyperpigmentation on sensitive skin.The anti-melanogenesis effect of the identified candidate was verified in B16F10 cells.Results:A total of 16971 sensitive skin targets and 11382 hyperpigmentation targets were screened,and 9693 overlapping targets were identified,with a core set comprising 164 targets.The combination of PPI network,KEGG and GO analysis revealed the key role of tyrosinase and immune-mediated inflammation in pigmentation on sensitive skin.Among the 15 active compounds,oxyresveratrol was identified as having a high correlation with the core set targets and predicted strong inhibition of Tyrosine-protein Kinase Kit.The application of oxyresveratrol exhibited a dose-dependent suppression of melanin production in B16F10 cells.Conclusion:This study suggested the crucial roles of immune-mediated inflammation in sensitive skin and hyperpigmentation,as well as highlighted the potential of oxyresveratrol in addressing hyperpigmentation on sensitive skin.These comprehensive findings provide a deeper understanding of the connection mechanism between sensitive skin and hyperpigmentation,offering new insights for the development of targeted treatments and interventions.
基金the 4^(th) Brain Korea(BK)21 Plus Project(4299990913942)financed by the Korean Government,Republic of Korea.
文摘The inflammatory response is a crucial physiological process that can lead to tissue damage and is considered a causative factor for various chronic diseases,such as rheumatoid arthritis.Recent research has focused on exploring valuable nutrients derived from Cannabis sativa L.(hemp)seeds,particularly hemp seed proteins.Therefore,this study aimed to investigate the release of anti-inflammatory peptides from Lactobacillus paraplantarum-fermented hemp seed proteins.To confirm the complete hydrolysis of hemp seed proteins during the fermentation process,sodium dodecyl sulfate-polyacrylamide gel electrophoresis(SDS-PAGE)was employed.Further,the isolation and purification of peptides were achieved through ultrafiltration.The identity of peptides was nextly established using ultra-high performance liquid chromatography coupled with hybrid quadrupole time-of-flight mass spectrometry(UHPLC-QTOF-MS).The results revealed a total of 39 identified peptides in fermented hemp seeds,with 9 peptides selected based on their relative quantity.Notably,AAELIGVP(P1),AAVPYPQ(P2),VFPEVAP(P4),DVIGVPLG(P6),and PVPKVL(P9)demonstrated strong anti-inflammatory abilities in lipopolysaccharide(LPS)-induced RAW264.7 macrophage cells.Molecular docking was used to understand the potential anti-inflammatory mechanism of these 5 peptides,and in silico results indicated that P1,P2,P4,P6,and P9 could bind to the active sites of toll-like receptor 4(TLR-4),nuclear factor-κB(NF-κB),and inhibitor of NF-κB kinase(IKK)with higher binding energies.Overall,these findings indicate that hemp seeds have potential to be a source of bioactive peptides for functional foods with anti-inflammatory properties.
