Traditional Chinese medicine,as a complementary and alternative medicine,has been practiced for thousands of years in China and possesses remarkable clinical efficacy.Thus,systematic analysis and examination of the me...Traditional Chinese medicine,as a complementary and alternative medicine,has been practiced for thousands of years in China and possesses remarkable clinical efficacy.Thus,systematic analysis and examination of the mechanistic links between Chinese herbal medicine(CHM)and the complex human body can benefit contemporary understandings by carrying out qualitative and quantitative analysis.With increasing attention,the approach of network pharmacology has begun to unveil the mystery of CHM by constructing the heterogeneous network relationship of“herb-compound-target-pathway,”which corresponds to the holistic mechanisms of CHM.By integrating computational techniques into network pharmacology,the efficiency and accuracy of active compound screening and target fishing have been improved at an unprecedented pace.This review dissects the core innovations to the network pharmacology approach that were developed in the years since 2015 and highlights how this tool has been applied to understanding the coronavirus disease 2019 and refining the clinical use of CHM to combat it.展开更多
Biosensor is an instrument which is sensitive to biological material and converts its concentration into electrical signals.Organisms such as enzymes, antibodies, tissues, cells and so on can selectively identify spec...Biosensor is an instrument which is sensitive to biological material and converts its concentration into electrical signals.Organisms such as enzymes, antibodies, tissues, cells and so on can selectively identify specific substances. Thesemolecular recognition functions can be combined with the target, such as the binding of antibodies and antigens, and thebinding of enzymes to the substrate through the recognition process. Biosensor has the advantages of high specificity,high sensitivity, fast reaction speed, low cost and easy operation. It has wide application prospect in food, pharmacy,chemical industry, clinical examination, biomedicine, environmental monitoring and so on, especially as a newtechnology means, in the field of modern herbal medicine research influence. Studies have demonstrated that thebiosensing technology has been applied to, traditional Chinese medicine （TCM） targets, isolation and purification ofTCM, the mechanism of TCM, quality control of TCM, the active ingredients detection of TCM and other basicresearches. Biosensor technology has made an important contribution to the research of modern herbal medicine, and hasbecome a Hot-spot in future research.展开更多
The discovery process of pesticides is confronting more and more difficult obstacles,including the rising costs of materials and labor,which are costly and time-consuming.Pesticide informatics brings an opportunity fo...The discovery process of pesticides is confronting more and more difficult obstacles,including the rising costs of materials and labor,which are costly and time-consuming.Pesticide informatics brings an opportunity for structure-based molecular design and optimization,which could improve the efficiency of pesticides discovery.However,there are still some problems in using informatics methods to improve the efficiency of pesticide discovery.Here,we provide a summary of databases and tools used in pesticide informatics,including those for target information search,virtual screening(VS),scaffold optimization,and pesticide-likeness assessment.Moreover,some successful cases of hit compound optimization utilizing the aforementioned approaches were dissected.We hope this review can guide researchers choose appropriate techniques to increase the effectiveness of hit compounds identification and optimization.展开更多
A live retention database for compound identification in isothermal and any step temperature programmed capillary gas chromatography has been developed. The database utilizes the Kovats retention indices of compounds ...A live retention database for compound identification in isothermal and any step temperature programmed capillary gas chromatography has been developed. The database utilizes the Kovats retention indices of compounds on a given stationary phase and the retention time of n-alkanes measured at isothermal conditions on the column to be used, together with the programming parameters. Identification is performed by search operation that compares the calculated results with the retention values of unknown peaks. Cross-reference of the search results of different operating conditions is performed automatically by the database in order to increase the reliability of the identification. The error of the database conversion is ≤± 0.5 index unit, or ≤± 1% on retention time. This paper describes the principle and the structure of the database in detail. The experimental results for different calsses of compounds tested at divers operating conditions will be presented in Part Ⅱ.展开更多
Stingless bees make propolis and geopropolis;the latter is characterized by the presence of small portions of soils besides the usual plant resins.These propolis are consumed by rural and indigenous communities to hea...Stingless bees make propolis and geopropolis;the latter is characterized by the presence of small portions of soils besides the usual plant resins.These propolis are consumed by rural and indigenous communities to heal or prevent diseases and have complex chemical composition;then to get a full understanding of their chemicals it is necessary the use of complementary analytical tools.Herein the hydrophilic fraction of 50 samples of Brazilian(geo)propolis(this way referring to either propolis or geopropolis from stingless bees)was derivatised and analysed by GC-MS.Therefore,the presence of semi-volatile and non-volatile compounds belonging to chemical classes such as flavonoids,esters,terpenoids,phenolic compounds,organic acids,phenylpropanoids,fatty acids,fatty acyls,and other lipids was confirmed.Exploratory multivariate analysis indicated that bee species affects the chemical composition of(geo)propolis.It was observed that(geo)propolis from Tetragonisca angustula from the states of Paran´a and S˜ao Paulo have similar chemical composition suggesting that in both regions this stingless bee have gathered similar vegetal resins to make its(geo)propolis.Alternatively,Melipona quadrifasciata and Melipona marginata have generalist collection patterns as their(geo)propolis show a variable composition depending on the geographical origin.展开更多
Deer antler has been a staple food for millennia,yet its precise immunomodulatory mechanisms remain unexplored.In our study,we systematically investigated the effects and mechanisms of deer antler water extract(DAWE)o...Deer antler has been a staple food for millennia,yet its precise immunomodulatory mechanisms remain unexplored.In our study,we systematically investigated the effects and mechanisms of deer antler water extract(DAWE)on cyclophosphamide-induced immunosuppressive mice.We identified various bioactive components in DAWE,including monosaccharides,nucleosides,phospholipids,amino acids,lipids,and organic acids.Following 14 days of administration of DAWE(260 mg/kg)significantly enhanced immunity in immunosuppressed mice,alleviating spleen injury,boosting immune cell proliferation,and increasing immunoactive substances production.Moreover,DAWE effectively mitigated intestinal barrier damage by promoting goblet cell and IgA-secreting cell proliferation and upregulating the expression of occludin-1 and claudin-1.Additionally,DAWE modulated gut microbiota diversity,composition,and metabolic activity.The metabonomic analysis highlighted the pivotal role of glutamine and glutamate metabolic pathways in DAWE’s immune regulatory effects.These findings provide valuable insights into DAWE as a potential immunomodulator and functional food,warranting further exploration in clinical applications.展开更多
基金supported by grants from the National Natural Science Foundation of China(No.81903786)the Shaanxi Natural Science Foundation of China(No.2021JQ-731)Subject Innovation Team of Shaanxi University of Chinese Medicine(No.2019-YL10)。
文摘Traditional Chinese medicine,as a complementary and alternative medicine,has been practiced for thousands of years in China and possesses remarkable clinical efficacy.Thus,systematic analysis and examination of the mechanistic links between Chinese herbal medicine(CHM)and the complex human body can benefit contemporary understandings by carrying out qualitative and quantitative analysis.With increasing attention,the approach of network pharmacology has begun to unveil the mystery of CHM by constructing the heterogeneous network relationship of“herb-compound-target-pathway,”which corresponds to the holistic mechanisms of CHM.By integrating computational techniques into network pharmacology,the efficiency and accuracy of active compound screening and target fishing have been improved at an unprecedented pace.This review dissects the core innovations to the network pharmacology approach that were developed in the years since 2015 and highlights how this tool has been applied to understanding the coronavirus disease 2019 and refining the clinical use of CHM to combat it.
文摘Biosensor is an instrument which is sensitive to biological material and converts its concentration into electrical signals.Organisms such as enzymes, antibodies, tissues, cells and so on can selectively identify specific substances. Thesemolecular recognition functions can be combined with the target, such as the binding of antibodies and antigens, and thebinding of enzymes to the substrate through the recognition process. Biosensor has the advantages of high specificity,high sensitivity, fast reaction speed, low cost and easy operation. It has wide application prospect in food, pharmacy,chemical industry, clinical examination, biomedicine, environmental monitoring and so on, especially as a newtechnology means, in the field of modern herbal medicine research influence. Studies have demonstrated that thebiosensing technology has been applied to, traditional Chinese medicine （TCM） targets, isolation and purification ofTCM, the mechanism of TCM, quality control of TCM, the active ingredients detection of TCM and other basicresearches. Biosensor technology has made an important contribution to the research of modern herbal medicine, and hasbecome a Hot-spot in future research.
基金supported by the National Natural Science Foundation of China(32125033 and 31960548)Program of Introducing Talents of Discipline to Universities of China(111 Program,D20023).
文摘The discovery process of pesticides is confronting more and more difficult obstacles,including the rising costs of materials and labor,which are costly and time-consuming.Pesticide informatics brings an opportunity for structure-based molecular design and optimization,which could improve the efficiency of pesticides discovery.However,there are still some problems in using informatics methods to improve the efficiency of pesticide discovery.Here,we provide a summary of databases and tools used in pesticide informatics,including those for target information search,virtual screening(VS),scaffold optimization,and pesticide-likeness assessment.Moreover,some successful cases of hit compound optimization utilizing the aforementioned approaches were dissected.We hope this review can guide researchers choose appropriate techniques to increase the effectiveness of hit compounds identification and optimization.
基金Project supported by the youth fund of the National Natural Science Foundation of China,and the Fund of Dalian Institute of Chemical physics,Chinese Academy of Sciences.
文摘A live retention database for compound identification in isothermal and any step temperature programmed capillary gas chromatography has been developed. The database utilizes the Kovats retention indices of compounds on a given stationary phase and the retention time of n-alkanes measured at isothermal conditions on the column to be used, together with the programming parameters. Identification is performed by search operation that compares the calculated results with the retention values of unknown peaks. Cross-reference of the search results of different operating conditions is performed automatically by the database in order to increase the reliability of the identification. The error of the database conversion is ≤± 0.5 index unit, or ≤± 1% on retention time. This paper describes the principle and the structure of the database in detail. The experimental results for different calsses of compounds tested at divers operating conditions will be presented in Part Ⅱ.
基金supported by“CoordenaçÃo de Aperfeigoamento de Pessoal de Nivel Superior”(CAPES)-Brazil-[Grant 001]“Conselho Nacionalde DesenvolvimentoCientifico e Tecnológico”(CNPq),-Brazil-[Grant 407979/2018-2]and[Grant 422130/2023-0]“Programa Institucional de Pesquisa BÃsica e Aplicada da Fundagao Araucária”——Brazil-297/2022 PDI,[Grant PBA2022011000008].
文摘Stingless bees make propolis and geopropolis;the latter is characterized by the presence of small portions of soils besides the usual plant resins.These propolis are consumed by rural and indigenous communities to heal or prevent diseases and have complex chemical composition;then to get a full understanding of their chemicals it is necessary the use of complementary analytical tools.Herein the hydrophilic fraction of 50 samples of Brazilian(geo)propolis(this way referring to either propolis or geopropolis from stingless bees)was derivatised and analysed by GC-MS.Therefore,the presence of semi-volatile and non-volatile compounds belonging to chemical classes such as flavonoids,esters,terpenoids,phenolic compounds,organic acids,phenylpropanoids,fatty acids,fatty acyls,and other lipids was confirmed.Exploratory multivariate analysis indicated that bee species affects the chemical composition of(geo)propolis.It was observed that(geo)propolis from Tetragonisca angustula from the states of Paran´a and S˜ao Paulo have similar chemical composition suggesting that in both regions this stingless bee have gathered similar vegetal resins to make its(geo)propolis.Alternatively,Melipona quadrifasciata and Melipona marginata have generalist collection patterns as their(geo)propolis show a variable composition depending on the geographical origin.
基金funded by the Jilin Province Science and Technology Development Plan Project(No.20200404024YY)the Research Foundation of the Education Department of Jilin Province(No.JJKH20210363KJ).
文摘Deer antler has been a staple food for millennia,yet its precise immunomodulatory mechanisms remain unexplored.In our study,we systematically investigated the effects and mechanisms of deer antler water extract(DAWE)on cyclophosphamide-induced immunosuppressive mice.We identified various bioactive components in DAWE,including monosaccharides,nucleosides,phospholipids,amino acids,lipids,and organic acids.Following 14 days of administration of DAWE(260 mg/kg)significantly enhanced immunity in immunosuppressed mice,alleviating spleen injury,boosting immune cell proliferation,and increasing immunoactive substances production.Moreover,DAWE effectively mitigated intestinal barrier damage by promoting goblet cell and IgA-secreting cell proliferation and upregulating the expression of occludin-1 and claudin-1.Additionally,DAWE modulated gut microbiota diversity,composition,and metabolic activity.The metabonomic analysis highlighted the pivotal role of glutamine and glutamate metabolic pathways in DAWE’s immune regulatory effects.These findings provide valuable insights into DAWE as a potential immunomodulator and functional food,warranting further exploration in clinical applications.
