Frontiers in Medical Science Research, 2024, 6(6); doi: 10.25236/FMSR.2024.060601.
Shen Li1, Zhao Zhenyu2, Xia Ke3,4, Li Feng1, Tan Juanjuan5, Yan Zhiqiang6
1The Third Hospital of Changsha, Changsha, Hunan, 410006, China
2Institute of Clinical Pharmacology, Xiangya Hospital, Central South University, Changsha, Hunan, 410078, China
3Cardiology Department, Xiangya Hospital, Central South University, Changsha, Hunan, 410078, China
4National Clinical Research Center for Geriatric Disorders, Xiangya Hospital, Central South University, Changsha, Hunan, 410078, China
5Shanxi Provincial Key Laboratory of Integrated Traditional Chinese and Western Medicine for Prevention and Treatment of Cardiovascular Diseases, Institute of Integrative Medicine, Shaanxi University of Traditional Chinese Medicine, Xi'an, Shaanxi, 712046, China
6Central Laboratory of Fengxian Hospital Affiliated to Southern Medical University, Guangzhou, Guangdong, 201400, China
This study aims to investigate the molecular mechanism of Wenxin Keli (WXKL) in the treatment of Ventricular Premature Beats (VPB) using network pharmacology and molecular docking methods. The main active ingredients, related targets, and target genes of WXKL were obtained from the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database and Uniprot. The target genes of VPB were retrieved from GeneCards and OMIM databases. The intersection of target genes was analyzed using Cytoscape to construct a drug-target network. A protein-protein interaction network (PPI) was built using the STRING database, and a "WXKL-active ingredients-key targets-significant pathways-disease" network was constructed. Further gene ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were analyzed, and molecular docking were conducted. A total of 41 compounds targeting 277 genes in WXKL. There were 671 genes associated with VPB, and WXKL shared 88 target genes with VPB, forming 1950 edges. Potential core targets for treatment were identified as STAT3, JUN, MAPK1, AKT1, TNF, MAPK14, IL6, and CAV1. The results of molecular docking showed that the core active components of WXKL were well combined with the core targets of ventricular premature beat.This study revealed the multi-component, multi-target, and multi-pathway characteristics of WXKL in treating VPB, providing a theoretical basis for further research on the mechanism of WXKL in treating VPB.
Network pharmacology; Wenxin Keli; Ventricular Premature Beats; Molecular docking; Mechanism of action
Shen Li, Zhao Zhenyu, Xia Ke, Li Feng, Tan Juanjuan, Yan Zhiqiang. The mechanism of Wenxin keli in treating ventricular premature beat based on network pharmacology and molecular docking. Frontiers in Medical Science Research (2024), Vol. 6, Issue 6: 1-7. https://doi.org/10.25236/FMSR.2024.060601.
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