Analyzing the effective compounds, potential targets and diseases of Jianpi Jiedu recipe based on network pharmacology and function validation of cytobiology
作者机构：Cancer InstituteShuguang HospitalShanghai University of Traditional Chinese MedicineShanghai 201203China Department of Medical OncologyShuguang HospitalShanghai University of Traditional Chinese MedicineShanghai 201203China
出 版 物：《TMR Cancer》 (TMR肿瘤)
年 卷 期：2019年第2卷第1期
页 面：127-132页
学科分类：10[医学]
基 金：National Natural Science Foundation of China (81573749, 81673783) Science Foundation of Shanghai Committee of Science Project (16401970500, 16401930700) Shanghai Shengkang Hospital Development Center Emerging Technology Project (SHDC12015124) Shanghai Rising-Star Program (18QA1404100) Shanghai Municipal Education Commission (13CG47) Three-Year Plan of Action for Public Health in Shanghai (GWIV-28) Three-Year Plan of Action for Innovation of Traditional Chinese Medicine in Shanghai (FWTX-4026, CCCX-2003-02)
主 题：Effective compound Drug target Function validation Jianpi Jiedu Recipe Network pharmacology
摘 要：Objective: To analyze the active compounds, potential drug targets and therapy diseases of Jianpi Jiedu Recipe (JPJDR) based on network pharmacology and bioinformatics technology, and verify the biological function of some active compounds by cytology experiments. Methods: The online databases including TCMSP, TCMID, Cancer HSP, TCM-PTD, TCM Database@Taiwan and DrugBank were applied to screen the active compounds and the potential drug targets of JPJDR. Cytoscape 3.3 software was executed to construct the network between active compounds and drug targets. DAVID database was used to probe the effective diseases and analyze the involved KEGG pathways according to the predicted targets corresponding to JPJDR. Results: According to the rules of oral bioavailability (OB)30% and drug-likeness (DL)0.18, 58 of 513 effective compounds in JPJDR were screened out, as well as the corresponding 437 potential drug targets. By the analysis of DAVID database, all these key targets were associated closely with the occurrence and development of metabolic disorders and cancers, and all the targets were closely correlated with the pathways in cancer. Further analysis demonstrated that, there were a lot of effective compounds in JPJDR, such as Quercetin, Formononetin, Stigmasterol, Diosgenin,β-sitsterol, Oxymatrine, Kaempferol, Isorhamnetin and Ampelopsis. The results of cell proliferation experiments further showed that, among the selected nine key traditional Chinese medicine compounds, only Ampelopsis can dose-dependently inhibit the proliferation of colorectal cancer cells. Conclusions: Through network pharmacology analysis, we found that JPJDR contains many effective compounds which may directly target to the cancer-related proteins. 9 compounds were the major active compounds with high degrees of targets. Among the 9 screened compounds, Ampelopsis was validated for its inhibitory effect on the proliferation of colorectal cancer cells using CCK-8 assay. Network pharmacology is an
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