GuanxinⅤRelieves Ventricular Remodeling by Inhibiting Inflammation:Implication from Virtual Screening,Systematic Pharmacology,Molecular Docking,and Experimental Validation

作     者：LIANG Bo ZHANG Xiao-xiao GU Ning LIANG Bo;ZHANG Xiao-xiao;GU Ning

作者机构：Department of CardiologyNanjing Hospital of Chinese Medicine Affiliated to Nanjing University of Chinese MedicineNanjing(210022)China Department of Nephrologythe Key Laboratory for the Prevention and Treatment of Chronic Kidney Disease of ChongqingChongqing Clinical Research Center of Kidney and Urology DiseasesXinqiao HospitalArmy Medical University(Third Military Medical University)Chongqing(400037)China School of Chinese MedicineSchool of Integrated Chinese and Western MedicineNanjing University of Chinese MedicineNanjing(210046)China 

出 版 物：《Chinese Journal of Integrative Medicine》 (中国结合医学杂志（英文版）)

年 卷 期：2023年第29卷第12期

页      面：1077-1086页

核心收录：

学科分类：1006[医学-中西医结合] 1002[医学-临床医学] 10[医学] 100602[医学-中西医结合临床] 

基　　金：Supported by the National Natural Science Foundation of China (No.81774229) Jiangsu Leading Talent Project of Traditional Chinese Medicine (Jiangsu TCM 2018 No.4)。 

主　　题：GuanxinⅤ Chinese medicine ventricular remodeling inflammation 

摘      要：Objective:To reveal the anti-inflammatory mechanism of GuanxinⅤ,which is prescribed for ventricular remodeling in clinical practice.Methods:GuanxinⅤ-,ventricular remodeling-,and inflammationrelated targets were obtained through an integrated strategy of virtual screening and systematic pharmacology,and then the shared targets were visualised with a Venn diagram.GuanxinⅤnetwork and the protein-protein interaction network were drawn,and enrichment analysis was conducted.Finally,the main results obtained from the integrated strategy were validated by molecular docking and in vivo experiments.Results:A total of 251,11,425,and 15,246 GuanxinⅤ-,ventricular remodeling-,and inflammation-related targets were acquired,respectively.Then,211 shared targets were considered to contribute to the mechanism of ventricular remodeling treated by GuanxinⅤ.Guanxin network and the protein-protein interaction network were drawn,and enrichment analysis showed some cardiovascular-related biological processes and signaling pathways.Molecular docking revealed that the GuanxinⅤ-derived compounds could align with key targets.Final in vivo experiments proved that GuanxinⅤreverses ventricular remodeling by inhibiting inflammation.Conclusion:GuanxinⅤrelieves ventricular remodeling by regulating inflammation,which provides new ideas for the anti-ventricular remodeling mechanism of GuanxinⅤ.