Study on Medication Rules of Traditional Chinese Medicine against Antineoplastic Drug-Induced Cardiotoxicity Based on Network Pharmacology and Data Mining

Wenchao Dan; Jinlei Liu; Xinyuan Guo; Boran Zhang; Yi Qu; Qingyong He

doi:10.1155/2020/7498525

Study on Medication Rules of Traditional Chinese Medicine against Antineoplastic Drug-Induced Cardiotoxicity Based on Network Pharmacology and Data Mining

Evid Based Complement Alternat Med. 2020 Nov 17:2020:7498525. doi: 10.1155/2020/7498525. eCollection 2020.

Authors

Wenchao Dan^{1

2}, Jinlei Liu^{1

2}, Xinyuan Guo³, Boran Zhang², Yi Qu^{1

2}, Qingyong He¹

Affiliations

¹ Department of Cardiology, China Academy of Chinese Medical Sciences Guanganmen Hospital, No. 5, North Line Pavilion, Xicheng District, Beijing 100053, China.
² Graduate School of Beijing University of Chinese Medicine, Beijing 100029, China.
³ Department of Radiation Therapy, Cancer Hospital Chinese Academy of Medical Sciences, No. 17, South Panjiayuan, Chaoyang District, Beijing 100021, China.

Abstract

Methods: The targets of antineoplastic drugs with cardiotoxicity were obtained from the National Center for Biotechnology Information (NCBI) database, China national knowledge infrastructure (CNKI) database, and Swiss Target Prediction platform. Then, the cardiotoxicity-related targets were derived from the Gene Cards, Disgenet, OMIM, and DrugBank databases, as well as the drug of current clinical guidelines. The targets both in these two sets were regarded as potential targets to alleviate ADIC. Then, candidate compounds and herbs were matched via Traditional Chinese Medicine Systems Pharmacology (TCMSP) platform. Cytoscape3.7.1 was used to set up the target-compound-herb network. Molecular docking between core targets and compounds was performed with AutodockVina1.1.2. The rules of herbs were summarized by analyzing their property, flavor, and channel tropism.

Results: Twenty-one potential targets, 332 candidate compounds, and 400 kinds of herbs were obtained. Five core targets including potassium voltage-gated channel subfamily H member 2 (KCNH2), cyclin-dependent kinase 1 (CDK1), matrix metalloproteinase 2 (MMP2), mitogen-activated protein kinase1 (MAPK1), and tumor protein p53 (TP53) and 29 core compounds (beta-sitosterol, quercetin, kaempferol, etc.) were collected. Five core herbs (Yanhusuo, Gouteng, Huangbai, Lianqiao, and Gancao) were identified. Also, the TCM against ADIC were mainly bitter and acrid in taste, warm in property, and distributed to the liver and lung meridians.

Conclusion: TCM against ADIC has great potential. Our study provides a new method and ideas for clinical applications of integrated Chinese and western medicine in treating ADIC.