Exploring the Therapeutic Mechanisms of Huzhang–Shanzha Herb Pair against Coronary Heart Disease by Network Pharmacology and Molecular Docking

作者：Dan Li, Longtao Liu, Shengjie Yang, Yanwei Xing, Limin Pan, Ran Zhao, Yixi Zhao, Guirui Huang, Min Wu · 发表于：Evidence-based Complementary and Alternative Medicine · 年份：2021 · DOI：10.1155/2021/5569666 · 被引用次数：14 · 研究领域：Sirtuins and Resveratrol in Medicine、Medicinal Plants and Bioactive Compounds、Flavonoids in Medical Research

BACKGROUND: sp.), a classic herb pair, has been widely used for the treatment of CHD. In recent years, Huzhang-Shanzha herb pair (HSHP) was found to have a wide range of effects in CHD; however, its therapeutic specific mechanisms remain to be further explored. The aim of this study was to elucidate the molecular mechanism of HSHP in the treatment of CHD using a network pharmacology analysis approach. METHODS: The Batman-TCM database was used to explore bioactive compounds and corresponding targets of HSHP. CHD disease targets were extracted from Genecards, OMIM, PharmGkb, TTD, and DrugBank databases. Then, the protein-protein interaction (PPI) network was constructed using the STRING web platform and Cytoscape software. GO functional and KEGG pathway enrichment analyses were carried out on the Metascape web platform. Finally, molecular docking of the active components was assessed to verify the potential targets of HSHP to treat CHD by the AutoDock Vina and PyMOL software. RESULTS: Totally, 243 active components and 2459 corresponding targets of LDP were screened out. Eighty-five common targets of HSHP and CHD were identified. The results of the network analysis showed that resveratrol, anthranone, emodin, and ursolic acid could be defined as four therapeutic components. TNF, ESR1, NFКB1, PPARG, INS, TP53, NFКBIA, AR, PIK3R1, PIK3CA, PTGS2, and NR3C1 might be the 12 key targets. These targets were mainly involved in the regulation of biological processes, such as inflammator...