Thrombosis is a leading cause of mortality and morbidity in patients suffering from polycythemia vera(PV).Drug pair Salviae Miltiorrhizae Radix et Rhizoma(Danshen,DS)and Notoginseng Radix et Rhizoma(Sanqi,SQ)is common...Thrombosis is a leading cause of mortality and morbidity in patients suffering from polycythemia vera(PV).Drug pair Salviae Miltiorrhizae Radix et Rhizoma(Danshen,DS)and Notoginseng Radix et Rhizoma(Sanqi,SQ)is common traditional Chinese medicine(TCM)used in clinical practice to promote blood circulation and eliminate blood stasis.In this study,network pharmacology and molecular docking were used to analyze the potentially active ingredients and underlying mechanisms of drug pair DS-SQ against thrombosis after PV.These results show that 54 targets are related to both disease and the drug pair.Nineteen core targets,including IL-6 and AKT1,were screened.Luteolin and tanshinone IIa from DS as well as quercetin from SQ might be the major substances in the treatment of thrombosis after PV.KEGG enrichment analysis demonstrated that the lipid and atherosclerosis signaling pathway might play a significant role.These results provide valuable insights and a reference for the use of drug pair DS-SQ in management of thrombosis after PV and lay a foundation for further exploration of pharmacological effects.展开更多
Objective:To explore the impact of exogenous chitosan on the growth and metabolism of Glycyrrhiza uralensis Fisch.(G.uralensis)and to improve the quality of cultivated G.uralensis for both medicine and food and aid in...Objective:To explore the impact of exogenous chitosan on the growth and metabolism of Glycyrrhiza uralensis Fisch.(G.uralensis)and to improve the quality of cultivated G.uralensis for both medicine and food and aid in the increase in the content of effective components in G.uralensis.Methods:In this study,whole G.uralensis plants were treated with exogenous chitosan,and compre-hensive analyses of secondary metabolites and proteins were conducted using liquid chromatography with tandem mass spectrometry and isobaric tag for relative and absolute quantitation,respectively.Effects of chitosan induction on endogenous hormones of G.uralensis were analyzed using an enzyme-linked immunosorbent assay.Gene ontology function annotation and Kyoto Encyclopedia of Genes and Genomes pathway annotation were conducted to study the effect of chitosan induction on the proteome.Results:Chitosan induction significantly increased the levels of flavonoids in G.uralensis;however,the variation in triterpenoids was not substantial.Biological processes,including photosynthesis,secondary metabolism,and abiotic stress responses,were significantly enriched.Additionally,the photosynthetic pathway,photosynthesis-antenna protein pathway,and plant hormone signal transduction pathway were significantly enriched.In the flavonoid biosynthesis pathway,the upstream-related enzyme phenylalanine ammonia-lyase(PAL)and the downstream-related enzymes chalcone synthase(CHS),polyketide reductase(PKR),chalcone isomerase(CHI),and vestitone reductase(VR)were significantly upregulated.Conclusions:Our findings suggest that chitosan induction may promote the tricarboxylic acid(TCA)cycle,and the TCA cycle enhancement significantly upregulated PAL,CHS,PKR,CHI,and VR,the five key enzymes involved in flavonoid synthesis of G.uralensis,indicating that chitosan induction activated the entire metabolic pathway associated with flavonoids in G.uralensis.Our findings provide a reference for improving the quality of cultivated G.uralensis from the perspective of pharmacodynamic components.展开更多
The suddenness, uncertainty, and randomness of rockbursts directly affect the safety of tunnel construction. The prediction of rockbursts is a fundamental aspect of mitigating or even eliminating rockburst hazards. To...The suddenness, uncertainty, and randomness of rockbursts directly affect the safety of tunnel construction. The prediction of rockbursts is a fundamental aspect of mitigating or even eliminating rockburst hazards. To address the shortcomings of the current rockburst prediction models, which have a limited number of samples and rely on manual test results as the majority of their input features, this paper proposes rockburst prediction models based on multi-featured drilling parameters of rock drilling jumbo. Firstly, four original drilling parameters, namely hammer pressure (Ph), feed pressure (Pf), rotation pressure (Pr), and feed speed (VP), together with the rockburst grades, were collected from 1093 rockburst cases. Then, a feature expansion investigation was performed based on the four original drilling parameters to establish a drilling parameter feature system and a rockburst prediction database containing 42 features. Furthermore, rockburst prediction models based on multi-featured drilling parameters were developed using the extreme tree (ET) algorithm and Bayesian optimization. The models take drilling parameters as input parameters and rockburst grades as output parameters. The effects of Bayesian optimization and the number of drilling parameter features on the model performance were analyzed using the accuracy, precision, recall and F1 value of the prediction set as the model performance evaluation indices. The results show that the Bayesian optimized model with 42 drilling parameter features as inputs performs best, with an accuracy of 91.89%. Finally, the reliability of the models was validated through field tests.展开更多
Background:Sophorae Tonkinensis Radix et Rhizoma(ST,also known as ShanDouGen)pertains to the Sophora genus,which is generally distributed in Southwest China.As a celebrated folk medicine,it has heat-clearing and detox...Background:Sophorae Tonkinensis Radix et Rhizoma(ST,also known as ShanDouGen)pertains to the Sophora genus,which is generally distributed in Southwest China.As a celebrated folk medicine,it has heat-clearing and detoxifying,reducing swelling and soothing pharynx.In recent years,there has been a notable rise in adverse events,including hepatotoxicity,associated with the use of ST,however,the mechanism behind ST-induced hepatotoxicity is unclear.Methods:The effects of ST on liver injury were investigated in vivo.Then,serum and liver samples were then analyzed using high-throughput metabolomics techniques.Furthermore,the application of network pharmacology and multivariate statistical analysis has been instrumental in identifying and predicting biomarkers and targets linked to liver toxicity.Results:In this study,we found that ST extract has a certain degree of damage to the rat liver.Using UPLC-MS/MS techniques,463 compounds were identified from ST,of which 73 compounds were absorbed in the blood of the STH group.Metabolomics results showed that amino acid metabolic biomarkers were associated with liver toxicity induced by ST.Notably,we identified 22 core ingredient as toxic effects Q-markers of ST through correlation analysis between biomarkers and absorbed components.On this basis,it is concluded by network pharmacology that ST may cause liver toxicity through PI3K-Akt signaling pathway,NF-kappa B signaling pathway,MAPK signaling pathway,and other pathways.Conclusion:Our findings also demonstrated that the“chemical composition-blood migration component-liver metabolism”stactics has an enormous potential to discern biomarkers and ingredients,and to elaborate the complexity toxicity mechanism of ST.展开更多
OBJECTIVE: To explore the material basis of the difference of efficacy of Dahuang(Radix Et Rhizoma Rhei Palmati)-Taoren(Semen Persicae)(DT) drugs with different proportions. METHODS: Samples of different ratios of Dah...OBJECTIVE: To explore the material basis of the difference of efficacy of Dahuang(Radix Et Rhizoma Rhei Palmati)-Taoren(Semen Persicae)(DT) drugs with different proportions. METHODS: Samples of different ratios of Dahuang(Radix et Rhizoma Rhei Palnati, DH) to Taoren(Semen Persicae, TR)(Group A 1∶1, B 2∶3, C 3∶2) were analyzed based on gas chromatography time-of-flight mass spectrometry untargeted metabolomics technique. RESULTS: A total of 240 primary metabolites were detected. Forty-one differential metabolites involved nine differential metabolic pathways, of which four were closely related to the efficacy of DT in the treatment of heat and blood stasis syndrome. These pathways included the biosynthesis of amino acid(phenylalanine tyrosine and tryptophan), flavonoids, unsaturated fatty acids, and the glycolysis/glycogenesis pathway. CONCLUSION: There are significant differences in the efficacy of different ratios of DT drugs, and their optimal ratio for the treatment of heat and blood stasis syndrome should be 1∶1.展开更多
基金supported by grant from the Project of the National Natural Science Foundation of China(Grant No.82060028)funded by the Yunnan Blood Disease Clinical Medical Center(Grant No.2023YJZX-XY05)+2 种基金the Yunnan Health Commission(L2019003)to TSthe Yunnan Provincial Key Laboratory of Clinical Virology(Grant No.202205AG070005)the Yunnan Provincial Key Laboratory of Innovative Application of Traditional Chinese Medicine.
文摘Thrombosis is a leading cause of mortality and morbidity in patients suffering from polycythemia vera(PV).Drug pair Salviae Miltiorrhizae Radix et Rhizoma(Danshen,DS)and Notoginseng Radix et Rhizoma(Sanqi,SQ)is common traditional Chinese medicine(TCM)used in clinical practice to promote blood circulation and eliminate blood stasis.In this study,network pharmacology and molecular docking were used to analyze the potentially active ingredients and underlying mechanisms of drug pair DS-SQ against thrombosis after PV.These results show that 54 targets are related to both disease and the drug pair.Nineteen core targets,including IL-6 and AKT1,were screened.Luteolin and tanshinone IIa from DS as well as quercetin from SQ might be the major substances in the treatment of thrombosis after PV.KEGG enrichment analysis demonstrated that the lipid and atherosclerosis signaling pathway might play a significant role.These results provide valuable insights and a reference for the use of drug pair DS-SQ in management of thrombosis after PV and lay a foundation for further exploration of pharmacological effects.
基金supported by grants from the National Natural Science Foundation of China(81773838).
文摘Objective:To explore the impact of exogenous chitosan on the growth and metabolism of Glycyrrhiza uralensis Fisch.(G.uralensis)and to improve the quality of cultivated G.uralensis for both medicine and food and aid in the increase in the content of effective components in G.uralensis.Methods:In this study,whole G.uralensis plants were treated with exogenous chitosan,and compre-hensive analyses of secondary metabolites and proteins were conducted using liquid chromatography with tandem mass spectrometry and isobaric tag for relative and absolute quantitation,respectively.Effects of chitosan induction on endogenous hormones of G.uralensis were analyzed using an enzyme-linked immunosorbent assay.Gene ontology function annotation and Kyoto Encyclopedia of Genes and Genomes pathway annotation were conducted to study the effect of chitosan induction on the proteome.Results:Chitosan induction significantly increased the levels of flavonoids in G.uralensis;however,the variation in triterpenoids was not substantial.Biological processes,including photosynthesis,secondary metabolism,and abiotic stress responses,were significantly enriched.Additionally,the photosynthetic pathway,photosynthesis-antenna protein pathway,and plant hormone signal transduction pathway were significantly enriched.In the flavonoid biosynthesis pathway,the upstream-related enzyme phenylalanine ammonia-lyase(PAL)and the downstream-related enzymes chalcone synthase(CHS),polyketide reductase(PKR),chalcone isomerase(CHI),and vestitone reductase(VR)were significantly upregulated.Conclusions:Our findings suggest that chitosan induction may promote the tricarboxylic acid(TCA)cycle,and the TCA cycle enhancement significantly upregulated PAL,CHS,PKR,CHI,and VR,the five key enzymes involved in flavonoid synthesis of G.uralensis,indicating that chitosan induction activated the entire metabolic pathway associated with flavonoids in G.uralensis.Our findings provide a reference for improving the quality of cultivated G.uralensis from the perspective of pharmacodynamic components.
基金supported by the China Railway Corporation Science and Technology Research and Development Program(Grant Nos.K2020G035 and K2021G024)the National Natural Science Foundation of China(Grant No.52378411).
文摘The suddenness, uncertainty, and randomness of rockbursts directly affect the safety of tunnel construction. The prediction of rockbursts is a fundamental aspect of mitigating or even eliminating rockburst hazards. To address the shortcomings of the current rockburst prediction models, which have a limited number of samples and rely on manual test results as the majority of their input features, this paper proposes rockburst prediction models based on multi-featured drilling parameters of rock drilling jumbo. Firstly, four original drilling parameters, namely hammer pressure (Ph), feed pressure (Pf), rotation pressure (Pr), and feed speed (VP), together with the rockburst grades, were collected from 1093 rockburst cases. Then, a feature expansion investigation was performed based on the four original drilling parameters to establish a drilling parameter feature system and a rockburst prediction database containing 42 features. Furthermore, rockburst prediction models based on multi-featured drilling parameters were developed using the extreme tree (ET) algorithm and Bayesian optimization. The models take drilling parameters as input parameters and rockburst grades as output parameters. The effects of Bayesian optimization and the number of drilling parameter features on the model performance were analyzed using the accuracy, precision, recall and F1 value of the prediction set as the model performance evaluation indices. The results show that the Bayesian optimized model with 42 drilling parameter features as inputs performs best, with an accuracy of 91.89%. Finally, the reliability of the models was validated through field tests.
基金supported High-level Innovative Talents of Guizhou Province(QianKeHe platform talents-GCC[2023]047)Guizhou Province"14th Five Year Plan"key discipline of traditional Chinese medicine and ethnic medicine(QZYYZDXK(JS)-2021-03)Guizhou Administration of Traditional Chinese Medicine,Traditional Chinese medicine,ethnic medicine science and technology research project(QZYY-2021-098).
文摘Background:Sophorae Tonkinensis Radix et Rhizoma(ST,also known as ShanDouGen)pertains to the Sophora genus,which is generally distributed in Southwest China.As a celebrated folk medicine,it has heat-clearing and detoxifying,reducing swelling and soothing pharynx.In recent years,there has been a notable rise in adverse events,including hepatotoxicity,associated with the use of ST,however,the mechanism behind ST-induced hepatotoxicity is unclear.Methods:The effects of ST on liver injury were investigated in vivo.Then,serum and liver samples were then analyzed using high-throughput metabolomics techniques.Furthermore,the application of network pharmacology and multivariate statistical analysis has been instrumental in identifying and predicting biomarkers and targets linked to liver toxicity.Results:In this study,we found that ST extract has a certain degree of damage to the rat liver.Using UPLC-MS/MS techniques,463 compounds were identified from ST,of which 73 compounds were absorbed in the blood of the STH group.Metabolomics results showed that amino acid metabolic biomarkers were associated with liver toxicity induced by ST.Notably,we identified 22 core ingredient as toxic effects Q-markers of ST through correlation analysis between biomarkers and absorbed components.On this basis,it is concluded by network pharmacology that ST may cause liver toxicity through PI3K-Akt signaling pathway,NF-kappa B signaling pathway,MAPK signaling pathway,and other pathways.Conclusion:Our findings also demonstrated that the“chemical composition-blood migration component-liver metabolism”stactics has an enormous potential to discern biomarkers and ingredients,and to elaborate the complexity toxicity mechanism of ST.
基金National Major Natural Science:Study on the Dose-effect Relationship and Compatibility Mechanism of Core Medicine in Taohe Chengqi Decoction Prescription on "Removing Stasis And Dissipating Heat" of Taoren Rhubarb (No. 81973592)Project of the Administration of Traditional Chinese Medicine of Shaanxi Province:Study on the Compatibility of the Classic Prescription Taohe Chengqi Decoction "Expelling Stasis And Expelling Heat" Based on Drug Interaction (2021-GJ-JC004)Supported by Discipline Innovation Team Project on Quality Evaluation and Resource Development of "Qin Medicine",Shaanxi University of Chinese Medicine (2019-QN01)。
文摘OBJECTIVE: To explore the material basis of the difference of efficacy of Dahuang(Radix Et Rhizoma Rhei Palmati)-Taoren(Semen Persicae)(DT) drugs with different proportions. METHODS: Samples of different ratios of Dahuang(Radix et Rhizoma Rhei Palnati, DH) to Taoren(Semen Persicae, TR)(Group A 1∶1, B 2∶3, C 3∶2) were analyzed based on gas chromatography time-of-flight mass spectrometry untargeted metabolomics technique. RESULTS: A total of 240 primary metabolites were detected. Forty-one differential metabolites involved nine differential metabolic pathways, of which four were closely related to the efficacy of DT in the treatment of heat and blood stasis syndrome. These pathways included the biosynthesis of amino acid(phenylalanine tyrosine and tryptophan), flavonoids, unsaturated fatty acids, and the glycolysis/glycogenesis pathway. CONCLUSION: There are significant differences in the efficacy of different ratios of DT drugs, and their optimal ratio for the treatment of heat and blood stasis syndrome should be 1∶1.
