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
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.
