Network pharmacology interprets the occurrence and development of diseases from the perspective of system biology and biological network balance, understands the interaction between drugs and the body from the perspective of improving or restoring the balance of biological network, and guides the discovery of new drugs. It has been widely used in the research of traditional Chinese medicine because of its holistic and systematic characteristics, the holistic view of traditional Chinese medicine and the principle of dialectical treatment.
Introduction to database
ChEMBL: ChEMBL is a synthetic database of pharmaceutically active molecules that brings together chemical bioactivity and genomic data to help translate genomic information into effective new drugs; Including 9800 active substances,6900 metabolites; And included a variety of metabolites targets (https://www.ebi.ac.uk/chembl/) TTD: TTD contains 5059 patented drugs (extracted from 3145 patents of WIPO, USA, Europe and Japan, etc.) with 215 targets,236 clinical trials and 207 patent recorded targets (the structures of 4774 patented drugs are drawn and provided in the form of.mol files, and the targeting activities of 3388 patented drugs are from the literature). YaTCM: The latest version of the TCMID database is one of the largest databases of Eastern Chinese medicine, including 8,159 herbs, 43,413 ingredients and 4,633 diseases. TCMSP is a systematic pharmacological database for drug discovery, containing 499 Chinese herbal medicines, 29,384 ingredients and 3,311 targets. To keep pace with the increasing number of published TCM compounds and provide analytical tools for TCM based drug discovery, we developed another TCM database (YaTCM). The YaTCM database provides comprehensive biologically-relevant information on isolated TCM compounds, including prescription, herbal drugs, ingredients, identified or presumed protein targets, pathways and diseases. (http://cadd.pharmacy.nankai.edu.cn/yatcm/home)
Analysis content
● The metabolite or a compound was detected in the database, and the metabolite target was inquired
● Focus on disease treatment target query
● Analysis of go enrichment of metabolite targets and disease treatment targets
● Analysis of KEGG pathway of metabolite target and disease treatment target
● Analysis of target protein interaction network
● Analysis of metabolite target pathway interaction network
Application examples
(1) Objective to obtain the target of metabolites of effective components of traditional Chinese medicine
The metabolites were obtained from the experimental results or yatcm, and the target of metabolites was found from the chembl database. The results are as follows:
Table 1 Target list of metabolites of effective components in traditional Chinese Medicine
(2) Access to disease targets
The target of disease treatment can be found from TTD database. The results are as follows:
Table 2 Focus on disease treatment target list
