Integration strategy of network pharmacology in Traditional Chinese Medicine: a narrative review

doi:10.19852/j.cnki.jtcm.20220408.003

Abstract

Abstract:

Traditional Chinese Medicine (TCM) has been extensively used as a mainstay for treating various pathologies. Combing the pharmacology and systems biology approaches, the network pharmacology (NP) approach was developed to predict the probable mechanism underlying the therapeutic effect of TCM. However, approaches solely based on NP cannot effectively elucidate the curative mechanism in a holistic and reliable manner due to limitations in NP-based methods and complexity of TCM components. Thus, integration strategies combining NP with other approaches are increasingly being used. Since the interdisciplinary research in TCM has received much attention in the advent of the big data era of which the NP-based integration strategy is broadly used, the strategy is clearly elaborated in the present review. We summarized several NP-based integration strategies and their applications in TCM studies, including multi-omics approach, gut microbiota study, chemical information analysis, data-mining, and network toxicology study.

Key words: network pharmacology, toxicology, medicine, Chinese traditional, integration strategy, review

WU Jiashuo, ZHANG Fangqing, LI Zhuangzhuang, JIN Weiyi, SHI Yue. Integration strategy of network pharmacology in Traditional Chinese Medicine: a narrative review[J]. Journal of Traditional Chinese Medicine, 2022, 42(3): 479-486.

Figures/Tables 2

References 103

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Name	Description	Website	Reference
TCMSP	A unique systems pharmacology platform of Chinese herbal medicines that captures the relationships between drugs, targets, and diseases.	https://tcmsp-e.com/	17
Swiss ADME	A tool allows you to compute physicochemical descriptors as well as to predict ADME parameters, pharmacokinetic properties, druglike nature and medicinal chemistry friendliness of one or multiple small molecules to support drug discovery.	http://www.swissadme.ch/	65
DrugBank Online	A comprehensive database containing information on drugs and drug targets. As both a bioinformatics and a cheminformatics resource, detailed drug data with comprehensive drug target information were combined.	https://go.drugbank.com/	66
CancerHSP	A database contains 2439 anticancer herbal medicines with 3575 anticancer ingredients. For each ingredient, the molecular structure and nine key ADME parameters are provided.	https://lsp.nwu.edu.cn/rj1/CancerHSP2.htm	67
ChEMBL	A database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties and abstracted bioactivities	https://www.ebi.ac.uk/chembl/	68
ChemSpider	A free chemical structure database providing fast text and structure search access to over 100 million structures from hundreds of data sources.	http://www.chemspider.com/	69
TCMIP	An integrative pharmacology-based research platform of TCM, including comprehensive and standardized information for the commonly used herbs and formulas of TCM.	http://www.tcmip.cn/TCMIP/index.php	70
ADMETlab 2.0	A platform for systematical evaluation of ADMET properties, as well as some physicochemical properties and medicinal chemistry friendliness.	https://admetmesh.scbdd.com/	71

Name	Description	Website	Reference
TCMSP	A unique systems pharmacology platform of Chinese herbal medicines that captures the relationships between drugs, targets, and diseases.	https://tcmsp-e.com/	17
Swiss ADME	A tool allows you to compute physicochemical descriptors as well as to predict ADME parameters, pharmacokinetic properties, druglike nature and medicinal chemistry friendliness of one or multiple small molecules to support drug discovery.	http://www.swissadme.ch/	65
DrugBank Online	A comprehensive database containing information on drugs and drug targets. As both a bioinformatics and a cheminformatics resource, detailed drug data with comprehensive drug target information were combined.	https://go.drugbank.com/	66
CancerHSP	A database contains 2439 anticancer herbal medicines with 3575 anticancer ingredients. For each ingredient, the molecular structure and nine key ADME parameters are provided.	https://lsp.nwu.edu.cn/rj1/CancerHSP2.htm	67
ChEMBL	A database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties and abstracted bioactivities	https://www.ebi.ac.uk/chembl/	68
ChemSpider	A free chemical structure database providing fast text and structure search access to over 100 million structures from hundreds of data sources.	http://www.chemspider.com/	69
TCMIP	An integrative pharmacology-based research platform of TCM, including comprehensive and standardized information for the commonly used herbs and formulas of TCM.	http://www.tcmip.cn/TCMIP/index.php	70
ADMETlab 2.0	A platform for systematical evaluation of ADMET properties, as well as some physicochemical properties and medicinal chemistry friendliness.	https://admetmesh.scbdd.com/	71

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