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基于网络药理学和分子对接技术评价参仙升脉口服液治疗病态窦房结综合征的潜在靶点

Evaluation of the Potential Targets of Shenxian-Shengmai Oral Liquid in Treating Sick Sinus Syndrome Based on Network Pharmacology and Molecular Docking.

作者信息

Hou Ping, Zhang Heng, Min Dong-Yu, Wu Jie, Chen Chen, Wang Jie, Lu Yong-Ping, Yao Ying-Jia, Li Ling-Kang, Liu Yue

机构信息

Graduate School Liaoning University of Traditional Chinese Medicine Shenyang Liaoning China.

Department of Rehabilitation Medicine Shandong Provincial Hospital Affiliated to Shandong First Medical University Jinan Shandong China.

出版信息

Food Sci Nutr. 2024 Nov 12;12(12):10517-10534. doi: 10.1002/fsn3.4587. eCollection 2024 Dec.

Abstract

Shenxian-Shengmai (SXSM) is a Chinese patent medicine used in the treatment of sick sinus syndrome (SSS). However, its active chemical compounds and the underlying molecular mechanisms remain unclear. In this study, we researched the underlying mechanisms of SXSM in treating SSS. We conducted network analysis and molecular docking to identify the small molecules and core targets responsible for the therapeutic efficacy of SXSM on SSS. In vitro experiments were performed to verify the potential therapeutic mechanism. Network pharmacological analysis identified 17 core targets. Among these, BMP4, KCNH2, KCNMA1, and KCNQ1 were identified to be involved in various biological processes, such as the formation and regulation of the cardiac pacemaking system and potassium ion transmembrane transport. The experimental analysis revealed that SXSM could upregulate the expression of the pathway and the expression of , , and channels, which protected and improved the pacemaking function of pacemaker cells (P cells) and increased the heart rate. These findings provide a scientific basis in the study of the mechanism of traditional Chinese medicine in the treatment of SSS.

摘要

参仙升脉(SXSM)是一种用于治疗病态窦房结综合征(SSS)的中成药。然而,其活性化学成分和潜在分子机制仍不清楚。在本研究中,我们探究了参仙升脉治疗病态窦房结综合征的潜在机制。我们进行了网络分析和分子对接,以确定对参仙升脉治疗病态窦房结综合征疗效起作用的小分子和核心靶点。进行体外实验以验证潜在的治疗机制。网络药理学分析确定了17个核心靶点。其中,骨形态发生蛋白4(BMP4)、钾通道亚家族H成员2(KCNH2)、大电导钙激活钾通道1(KCNMA1)和钾通道亚家族Q成员1(KCNQ1)被确定参与各种生物学过程,如心脏起搏系统的形成和调节以及钾离子跨膜转运。实验分析表明,参仙升脉可上调该通路的表达以及、和通道的表达,从而保护并改善起搏细胞(P细胞)的起搏功能并提高心率。这些发现为研究中药治疗病态窦房结综合征的机制提供了科学依据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bb1a/11666830/b989b9ecbb68/FSN3-12-10517-g028.jpg

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