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通过网络药理学方法和分子对接分析研究阿魏酸对脑出血型新冠肺炎的神经保护潜力。

Neuroprotective potentials of ferulic acid against intracerebral hemorrhage COVID-19 through using network pharmacology approach and molecular docking analysis.

作者信息

Dong Qinghua, Tan Yongxing, Tang Gangjian, Wu Zhonghui, Li Aiguo, Qin Xiaohui, Li Shaobin, Liao Huafeng, Xiao Junxin, Huang Qiuye, Yang Jiawu, Qin Yujing

机构信息

Intensive Care Unit, Guilin Municipal Hospital of Traditional Chinese Medicine, Guilin, Guangxi, PR China.

Guilin Boai Hospital, Guilin, Guangxi, PR China.

出版信息

Curr Res Toxicol. 2023 Sep 6;5:100123. doi: 10.1016/j.crtox.2023.100123. eCollection 2023.

Abstract

Intracerebral hemorrhage (ICH) refers to severe stroke subtype that may be life-threatening or even cause death. It is clinically observed that coronavirus disease 2019 (COVID-19) may be associated with the high mortality in ICH patients. Ferulic acid, one of the functional bioactive ingredients from medicinal herbs, has been preclinically proven with beneficial activities, including neuroprotection and anti-inflammation actions. Based on current findings, we assumed that ferulic acid may play the potentials against COVID-19 when ICH. In this study, preclinical approach including network pharmacology and molecular docking was applied to detect and identify the core targets and pharmacological mechanisms involved in ferulic acid on COVID-19 and ICH. The network pharmacology analysis identified total eleven core targets in ferulic acid and COVID-19/ICH. The molecular mechanisms of ferulic acid against COVID-19 and ICH were mostly involved in induction of antiviral activity, modulation of inflammatory reaction. Molecular docking model revealed that ferulic acid might effectively bind to epidermal growth factor receptor (EGFR) protein based on strong binding capability. Current findings reflected the preclinical pharmacological activities of ferulic acid that might use for management of COVID-19 and ICH. Although there are the limitations that are absence of experimental validation, these bioinformatic results underline that ferulic acid may exert simultaneous potentials against COVID-19 and ICH through modulating integrative mechanisms and key biotargets.

摘要

脑出血(ICH)是一种严重的中风亚型,可能危及生命甚至导致死亡。临床观察发现,2019冠状病毒病(COVID-19)可能与脑出血患者的高死亡率有关。阿魏酸是一种来自草药的功能性生物活性成分,临床前研究已证实其具有有益作用,包括神经保护和抗炎作用。基于目前的研究结果,我们推测阿魏酸在脑出血时可能对COVID-19具有潜在作用。在本研究中,采用包括网络药理学和分子对接在内的临床前方法来检测和识别阿魏酸对COVID-19和脑出血的核心靶点及药理机制。网络药理学分析确定了阿魏酸与COVID-19/脑出血共有的11个核心靶点。阿魏酸对抗COVID-19和脑出血的分子机制主要涉及诱导抗病毒活性、调节炎症反应。分子对接模型显示,基于较强的结合能力,阿魏酸可能有效地与表皮生长因子受体(EGFR)蛋白结合。目前的研究结果反映了阿魏酸的临床前药理活性,可用于治疗COVID-患19和脑出血。尽管存在缺乏实验验证的局限性,但这些生物信息学结果强调,阿魏酸可能通过调节综合机制和关键生物靶点,同时对COVID-19和脑出血发挥潜在作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba2c/10507130/11438b6561f3/ga1.jpg

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