Exploring the Biological Mechanism of Huang Yam in Treating Tumors and Preventing Antitumor Drug-Induced Cardiotoxicity Using Network Pharmacology and Molecular Docking Technology

Hui Zhang; Wenchao Dan; Qingyong He; Jianbo Guo; Shuang Dai; Xiaoshan Hui; Peipei Meng; Qianqian Cao; Wingyan Yun; Xinyuan Guo

doi:10.1155/2021/9988650

Exploring the Biological Mechanism of Huang Yam in Treating Tumors and Preventing Antitumor Drug-Induced Cardiotoxicity Using Network Pharmacology and Molecular Docking Technology

Evid Based Complement Alternat Med. 2021 Aug 25:2021:9988650. doi: 10.1155/2021/9988650. eCollection 2021.

Authors

Hui Zhang¹, Wenchao Dan^{1

2}, Qingyong He¹, Jianbo Guo³, Shuang Dai^{1

2}, Xiaoshan Hui¹, Peipei Meng^{1

2}, Qianqian Cao¹, Wingyan Yun¹, Xinyuan Guo⁴

Affiliations

¹ Department of Cardiology, Guang'an Men Hospital, China Academy of Chinese Medical Sciences, No. 5, North Line Pavilion, Xicheng District, Beijing 100053, China.
² Graduate School of Beijing University of Chinese Medicine, Beijing 100029, China.
³ The University of Hong Kong, Hong Kong 999077, China.
⁴ Department of Radiation Therapy, Cancer Hospital Chinese Academy of Medical Sciences, No. 17, South Panjiayuan, Chaoyang District, Beijing 100021, China.

Abstract

Drugs for the treatment of tumors could result in cardiotoxicity and cardiovascular diseases. We aimed to explore the anticancer properties of Huang yam as well as its cardioprotective properties using network pharmacology and molecular docking technology. The cardiovascular targets of the major chemical components of Huang yam were obtained from the following databases: TCMSP, ETCM, and BATMAN-TCM. The active ingredients of Huang yam were obtained from SwissADME. The cardiovascular targets of antitumor drugs were obtained using GeneCards, OMIM, DrugBank, DisGeNET, and SwissTargetPrediction databases. The drug-disease intersection genes were used to construct a drug-compound-target network using Cytoscape 3.7.1. A protein-protein interaction network was constructed using Cytoscape's BisoGenet, and the core targets of Huang yam were screened to determine their antitumor properties and identify the cardiovascular targets based on topological parameters. Potential targets were imported into the Metascape platform for GO and KEGG analysis. The results were saved and visualized using R software. The components with higher median values in the network were molecularly docked with the core targets. The network contained 10 compounds, including daucosterol, delusive, dioxin, panthogenin-B, and 124 targets, such as TP53, RPS27A, and UBC. The GO function enrichment analysis showed that there were 478 items in total. KEGG enrichment analysis showed a total of 140 main pathways associated with abnormal transcription of cancer, PI3K-Akt signaling pathway, cell cycle, cancer pathway, ubiquitination-mediated proteolysis, and other pathways. Molecular docking results showed that daucosterol, delusive, dioxin, and panthogenin-B had the highest affinity for TP53, RPS27A, and UBC. The treatment of diseases using traditional Chinese medicine encompasses multiple active ingredients, targets, and pathways. Huang yam has the potential to treat cardiotoxicity caused by antitumor drugs.