冠心V通过抑制炎症缓解心室重构：来自虚拟筛选、系统药理学、分子对接和实验验证的启示

LIANG Bo; LIANG Bo; ZHANG Xiao-xiao; ZHANG Xiao-xiao; GU Ning

doi:10.1007/s11655-023-3642-z

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冠心V通过抑制炎症缓解心室重构：来自虚拟筛选、系统药理学、分子对接和实验验证的启示

Original Article | Updated：2023-11-21

- 冠心V通过抑制炎症缓解心室重构：来自虚拟筛选、系统药理学、分子对接和实验验证的启示
- Guanxin Ⅴ Relieves Ventricular Remodeling by Inhibiting Inflammation: Implication from Virtual Screening, Systematic Pharmacology, Molecular Docking, and Experimental Validation
- 中国结合医学杂志（英文版） 2023年29卷第12期页码：1077-1086
- Affiliations：
  
  1.Department of Cardiology, Nanjing Hospital of Chinese Medicine Affiliated to Nanjing University of Chinese Medicine, Nanjing (210022), China
  2.Department of Nephrology, the Key Laboratory for the Prevention and Treatment of Chronic Kidney Disease of Chongqing, Chongqing Clinical Research Center of Kidney and Urology Diseases, Xinqiao Hospital, Army Medical University (Third Military Medical University), Chongqing(400037), China
  3.School of Chinese Medicine, School of Integrated Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing (210046), China
- Author bio：
  
  Prof. GU Ning, E-mail: guning@njucm.edu.cn
- Funds：
  
  the National Natural Science Foundation of China(81774229);Jiangsu Leading Talent Project of Traditional Chinese Medicine(Jiangsu TCM 2018 No.4)
- DOI：10.1007/s11655-023-3642-z
  中图分类号：
- 纸质出版日期：2023-12，
  
  网络出版日期：2023-08-02，
  
  录用日期：2023-05-05
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冠心V通过抑制炎症缓解心室重构：来自虚拟筛选、系统药理学、分子对接和实验验证的启示[J]. 中国结合医学杂志（英文版）, 2023,29(12):1077-1086.

LIANG Bo, LIANG Bo, ZHANG Xiao-xiao, et al. Guanxin Ⅴ Relieves Ventricular Remodeling by Inhibiting Inflammation: Implication from Virtual Screening, Systematic Pharmacology, Molecular Docking, and Experimental Validation[J]. Chinese Journal of Integrative Medicine, 2023,29(12):1077-1086.
冠心V通过抑制炎症缓解心室重构：来自虚拟筛选、系统药理学、分子对接和实验验证的启示[J]. 中国结合医学杂志（英文版）, 2023,29(12):1077-1086. DOI： 10.1007/s11655-023-3642-z.

LIANG Bo, LIANG Bo, ZHANG Xiao-xiao, et al. Guanxin Ⅴ Relieves Ventricular Remodeling by Inhibiting Inflammation: Implication from Virtual Screening, Systematic Pharmacology, Molecular Docking, and Experimental Validation[J]. Chinese Journal of Integrative Medicine, 2023,29(12):1077-1086. DOI： 10.1007/s11655-023-3642-z.

摘要

目的:

揭示临床应用于心室重构的冠心V号的抗炎机制.

方法:

通过虚拟筛选和系统药理学的综合策略获得冠心V号、心室重构和炎症相关靶点

然后用维恩图可视化共享靶点. 绘制了冠心V号网络和蛋白质-蛋白质相互作用网络

并进行了富集分析. 最后

通过分子对接和体内实验验证了综合分析的主要结果.

结果:

分别获得251个、11425个和15246个冠心V号、心室重构和炎症相关靶点. 然后

共有211个靶点被认为参与了冠心V号治疗心室重构的机制. 绘制了冠心V号网络和蛋白质-蛋白质相互作用网络

富集分析显示了一些与心血管相关的生物过程和信号通路. 分子对接显示

冠心V号衍生的化合物可以与关键靶点对接良好. 最终的体内实验证明

冠心V号通过抑制炎症来逆转心室重构.

结论:

冠心V号通过调节炎症来减轻心室重构

为其抗心室重构机制提供了新的思路.

Abstract

Objective:

To reveal the anti-inflammatory mechanism of Guanxin Ⅴ

which is prescribed for ventricular remodeling in clinical practice.

Methods:

Guanxin Ⅴ-

ventricular remodeling-

and inflammation-related targets were obtained through an integrated strategy of virtual screening and systematic pharmacology

and then the shared targets were visualised with a Venn diagram. Guanxin Ⅴ network 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

425

and 15

246 Guanxin Ⅴ-

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 Guanxin Ⅴ. 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 Guanxin Ⅴ-derived compounds could align with key targets. Final

in vivo

experiments proved that Guanxin Ⅴ reverses ventricular remodeling by inhibiting inflammation.

Conclusion:

Guanxin Ⅴ relieves ventricular remodeling by regulating inflammation

which provides new ideas for the anti-ventricular remodeling mechanism of Guanxin Ⅴ.

关键词

冠心V号中医药心室重构炎症

Keywords

Guanxin ⅤChinese medicineventricular remodelinginflammation

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