首页|From complexity to clarity:development of CHM-FIEFP for predicting effective components in Chinese herbal formulas by using big data

From complexity to clarity:development of CHM-FIEFP for predicting effective components in Chinese herbal formulas by using big data

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Objective:The presence of complex components in Chinese herbal medicine(CHM)hinders identification of the primary active substances and understanding of pharmacological principles.This study was aimed at developing a big-data-based,knowledge-driven in silico algorithm for predicting central components in complex CHM formulas.Methods:Network pharmacology(TCMSP)and clinical(GEO)databases were searched to retrieve gene targets corresponding to the formula ingredients,herbal components,and specific disease being treated.Intersections were determined to obtain disease-specific core targets,which underwent further GO and KEGG enrichment analyses to generate non-redundant biological processes and molecular targets for the formula and each component.The ratios of the numbers of biological and molecular events associated with a component were calculated with a formula,and entropy weighting was performed to obtain a fitting score to facilitate ranking and improve identification of the key components.The established method was tested on the traditional CHM formula Danggui Sini Decoction(DSD)for gastric cancer.Finally,the effects of the predicted critical component were experimentally validated in gastric cancer cells.Results:An algorithm called Chinese Herb Medicine-Formula vs.Ingredients Efficacy Fitting&Prediction(CHM-FIEFP)was developed.Ferulic acid was identified as having the highest fitting score among all tested DSD components.The pharmacological effects of ferulic acid alone were similar to those of DSD.Conclusions:CHM-FIEFP is a promising in silico method for identifying pharmacological components of CHM formulas with activity against specific diseases.This approach may also be practical for solving other similarly complex problems.The algorithm is available at http://chm-fiefp.net/.

Chinese herbal medicine(CHM)CHM-FIEFPnetwork pharmacologyDanggui Sini Decoctionferulic acid

Boyu Pan、Han Zhu、Jiaqi Yang、Liangjiao Wang、Zizhen Chen、Jian Ma、Bo Zhang、Zhanyu Pan、Guoguang Ying、Shao Li、Liren Liu

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Department of Molecular Pharmacology,Tianjin Medical University Cancer Institute&Hospital,Tianjin 300060,China

National Clinical Research Center for Cancer,Key Laboratory of Cancer Prevention and Therapy,Tianjin,Tianjin's Clinical Research Center for Cancer,Tianjin 300060,China

College of Electronic and Information Engineering,Shanghai Research Institute for Intelligent Autonomous Systems,Tongji University,Shanghai 200092,China

Department of General Surgery,Tianjin Haihe Hospital,Tianjin 300350,China

Beijing Intelligent Medicine and Network Pharmacology Co.,Ltd,Beijing 100020,China

Institute for TCM-X,MOE Key Laboratory of Bioinformatics,Bioinformatics Division,BNRist,Department of Automation,Tsinghua University,Beijing 100084,China

Department of Integrative Oncology,Tianjin Medical University Cancer Institute and Hospital,Tianjin 300060,China

Laboratory of Cancer Cell Biology,Tianjin Medical University Cancer Institute&Hospital,Tianjin 300060,China

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2024

10.20892/j.issn.2095-3941.2023.0442

癌症生物学与医学(英文版)
中国抗癌协会

癌症生物学与医学(英文版)

CSTPCD
影响因子：1.07
ISSN：2095-3941
年,卷(期)：2024.21(11)