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基于网络药理学方法解析补阳还五汤治疗脊髓损伤的药理机制

Deciphering Pharmacological Mechanism of Buyang Huanwu Decoction for Spinal Cord Injury by Network Pharmacology Approach.

作者信息

Xiong Zhencheng, Yang Feng, Li Wenhao, Tang Xiangsheng, Ma Haoni, Yi Ping

机构信息

Department of Spine Surgery, China-Japan Friendship Hospital, Beijing 100029, China.

Beijing University of Chinese Medicine, Beijing 100029, China.

出版信息

Evid Based Complement Alternat Med. 2021 Apr 22;2021:9921534. doi: 10.1155/2021/9921534. eCollection 2021.

DOI:10.1155/2021/9921534
PMID:33976706
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8087484/
Abstract

OBJECTIVE

The purpose of this study was to investigate the mechanism of action of the Chinese herbal formula Buyang Huanwu Decoction (BYHWD), which is commonly used to treat nerve injuries, in the treatment of spinal cord injury (SCI) using a network pharmacology method.

METHODS

BYHWD-related targets were obtained by mining the TCMSP and BATMAN-TCM databases, and SCI-related targets were obtained by mining the DisGeNET, TTD, CTD, GeneCards, and MalaCards databases. The overlapping targets of the abovementioned targets may be potential therapeutic targets for BYHWD anti-SCI. Subsequently, we performed protein-protein interaction (PPI) analysis, screened the hub genes using Cytoscape software, performed Gene Ontology (GO) annotation and KEGG pathway enrichment analysis, and finally achieved molecular docking between the hub proteins and key active compounds.

RESULTS

The 189 potential therapeutic targets for BYHWD anti-SCI were overlapping targets of 744 BYHWD-related targets and 923 SCI-related targets. The top 10 genes obtained subsequently included AKT1, IL6, MAPK1, TNF, TP53, VEGFA, CASP3, ALB, MAPK8, and JUN. Fifteen signaling pathways were also screened out after enrichment analysis and literature search. The results of molecular docking of key active compounds and hub target proteins showed a good binding affinity for both.

CONCLUSION

This study shows that BYHWD anti-SCI is characterized by a multicomponent, multitarget, and multipathway synergy and provides new insights to explore the specific mechanisms of BYHWD against SCI.

摘要

目的

本研究旨在采用网络药理学方法探讨常用于治疗神经损伤的中药方剂补阳还五汤（BYHWD）治疗脊髓损伤（SCI）的作用机制。

方法

通过挖掘中药系统药理学数据库（TCMSP）和中药系统生物学与药物靶点数据库（BATMAN-TCM）获取与BYHWD相关的靶点，通过挖掘疾病基因数据库（DisGeNET）、治疗靶点数据库（TTD）、比较毒理基因组学数据库（CTD）、基因卡片数据库（GeneCards）和人类疾病数据库（MalaCards）获取与SCI相关的靶点。上述靶点的重叠靶点可能是BYHWD抗SCI的潜在治疗靶点。随后，我们进行了蛋白质-蛋白质相互作用（PPI）分析，使用Cytoscape软件筛选枢纽基因，进行基因本体（GO）注释和京都基因与基因组百科全书（KEGG）通路富集分析，最后实现枢纽蛋白与关键活性化合物之间的分子对接。

结果

BYHWD抗SCI的189个潜在治疗靶点是744个BYHWD相关靶点和923个SCI相关靶点的重叠靶点。随后获得的前10个基因包括蛋白激酶B1（AKT1）、白细胞介素6（IL6）、丝裂原活化蛋白激酶1（MAPK1）、肿瘤坏死因子（TNF）、肿瘤蛋白p53（TP53）、血管内皮生长因子A（VEGFA）、半胱天冬酶3（CASP3）、白蛋白（ALB）、丝裂原活化蛋白激酶8（MAPK8）和原癌基因蛋白c-Jun（JUN）。富集分析和文献检索后还筛选出15条信号通路。关键活性化合物与枢纽靶蛋白的分子对接结果显示二者具有良好的结合亲和力。

结论

本研究表明，BYHWD抗SCI具有多成分、多靶点、多途径协同作用的特点，为探索BYHWD抗SCI的具体机制提供了新的见解。

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