A network pharmacology analysis to identify active components and targets of Moschus in treatment and rehabilitation of Bell’s palsy

Xiao-Yan Li, Chuang Zhao, Ye-Ran Mao, Ruochen Du, Zhidan Liu
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Abstract

The traditional Chinese herb, Moschus (also called She Xiang in Chinese), is used to accelerate the rehabilitation of Bell’s palsy (BP) through acupoint sticking therapy in China. However, the mechanism of its effect is not clear. In this study, we explored the pharmacological mechanism using bioinformatics analysis. We identified 59 active ingredients in Moschus using the Traditional Chinese Medicine Integrated Database, including 17-beta-estradiol, testosterone, and 2,6-decamethylene pyridine. In total, 837 differently expressed genes were identified in blood of BP patients by RNA sequencing. Finally, 33 proteins were identified with overlapping predictions by the Comparative Toxicogenomics Database and Bioinformatics Analysis Tool for Molecular Mechanism of Traditional Chinese Medicine. Proteins of interest were closely associated with 406 Gene Ontology biological processes and 4 pathways. The hub proteins in the protein–protein interaction network were FOS, JUN, proopiomelanocortin, and G protein-coupled estrogen receptor 1. A pharmacology network was constructed with 15 active components of Moschus, 33 protein targets and four pathways. The docking model of androst-4-ene-3,17-dione and FOS-JUN complexes was predicted and constructed. The results indicated testosterone as an effective component of Moschus that may enhance BP rehabilitation by targeting FUN and the mitogen-activated protein kinase and cyclic adenosine monophosphate signaling pathways, and that docking of androst-4-ene-3,17-dione and FOS-JUN complexes might play a critical role. The findings provide a direction for future research to verify the key targets of Moschus in the treatment of BP and an application prospect in the field of facial nerve rehabilitation.
网络药理学分析,以确定有效成分和目标的莫舒在治疗和康复贝尔氏麻痹
传统的中药,麝香,在中国被用来通过穴位贴敷疗法加速贝尔氏麻痹(BP)的康复。然而,其作用机制尚不清楚。在本研究中,我们利用生物信息学分析探讨了其药理机制。我们利用中药综合数据库鉴定出飞尾草中的59种有效成分,包括17- β -雌二醇、睾酮和2,6-十亚甲基吡啶。通过RNA测序,在BP患者血液中共鉴定出837个不同表达的基因。最后,通过比较毒理学基因组数据库和中药分子机制生物信息学分析工具,鉴定出33个具有重叠预测的蛋白。感兴趣的蛋白与406个基因本体生物学过程和4条通路密切相关。蛋白-蛋白相互作用网络中的枢纽蛋白为FOS、JUN、proopiomelanocortin和G蛋白偶联雌激素受体1。构建了由15种活性成分、33个蛋白靶点和4条通路组成的药理网络。预测并构建了androst-4-烯-3,17-二酮与FOS-JUN配合物的对接模型。结果表明,睾酮是一种有效成分,可能通过靶向FUN、丝裂原活化蛋白激酶和环腺苷单磷酸信号通路来促进BP康复,并且雄激素-4-烯-3,17-二酮和FOS-JUN复合物的对接可能起关键作用。本研究结果为进一步研究验证Moschus治疗BP的关键靶点以及在面神经康复领域的应用前景提供了方向。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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