通过网络药理学方法和分子对接分析,阿魏酸对新冠肺炎脑出血的神经保护潜力。

IF 2.9 Q2 TOXICOLOGY
Qinghua Dong , Yongxing Tan , Gangjian Tang , Zhonghui Wu , Aiguo Li , Xiaohui Qin , Shaobin Li , Huafeng Liao , Junxin Xiao , Qiuye Huang , Jiawu Yang , Yujing Qin
{"title":"通过网络药理学方法和分子对接分析,阿魏酸对新冠肺炎脑出血的神经保护潜力。","authors":"Qinghua Dong ,&nbsp;Yongxing Tan ,&nbsp;Gangjian Tang ,&nbsp;Zhonghui Wu ,&nbsp;Aiguo Li ,&nbsp;Xiaohui Qin ,&nbsp;Shaobin Li ,&nbsp;Huafeng Liao ,&nbsp;Junxin Xiao ,&nbsp;Qiuye Huang ,&nbsp;Jiawu Yang ,&nbsp;Yujing Qin","doi":"10.1016/j.crtox.2023.100123","DOIUrl":null,"url":null,"abstract":"<div><p>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.</p></div>","PeriodicalId":11236,"journal":{"name":"Current Research in Toxicology","volume":"5 ","pages":"Article 100123"},"PeriodicalIF":2.9000,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ftp.ncbi.nlm.nih.gov/pub/pmc/oa_pdf/c9/c3/main.PMC10507130.pdf","citationCount":"0","resultStr":"{\"title\":\"Neuroprotective potentials of ferulic acid against intracerebral hemorrhage COVID-19 through using network pharmacology approach and molecular docking analysis\",\"authors\":\"Qinghua Dong ,&nbsp;Yongxing Tan ,&nbsp;Gangjian Tang ,&nbsp;Zhonghui Wu ,&nbsp;Aiguo Li ,&nbsp;Xiaohui Qin ,&nbsp;Shaobin Li ,&nbsp;Huafeng Liao ,&nbsp;Junxin Xiao ,&nbsp;Qiuye Huang ,&nbsp;Jiawu Yang ,&nbsp;Yujing Qin\",\"doi\":\"10.1016/j.crtox.2023.100123\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>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.</p></div>\",\"PeriodicalId\":11236,\"journal\":{\"name\":\"Current Research in Toxicology\",\"volume\":\"5 \",\"pages\":\"Article 100123\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2023-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://ftp.ncbi.nlm.nih.gov/pub/pmc/oa_pdf/c9/c3/main.PMC10507130.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Current Research in Toxicology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2666027X2300021X\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"TOXICOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Current Research in Toxicology","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2666027X2300021X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"TOXICOLOGY","Score":null,"Total":0}
引用次数: 0

摘要

脑出血是指可能危及生命甚至导致死亡的严重脑卒中亚型。临床观察发现,2019冠状病毒病(新冠肺炎)可能和脑出血患者的高死亡率有关。阿魏酸是中草药中的一种功能性生物活性成分,已被临床前证明具有有益的活性,包括神经保护和抗炎作用。根据目前的研究结果,我们认为当脑出血时,阿魏酸可能发挥对抗新冠肺炎的潜力。在本研究中,应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鉴定阿魏酸对新冠肺炎和脑出血的核心靶点和药理机制。网络药理学分析确定了阿魏酸和新冠肺炎/ICH中的总共11个核心靶点。阿魏酸对新冠肺炎和脑出血的分子机制主要涉及抗病毒活性的诱导、炎症反应的调节。分子对接模型显示,阿魏酸可能与表皮生长因子受体(EGFR)蛋白具有较强的结合能力。目前的研究结果反映了阿魏酸的临床前药理活性,可能用于治疗新冠肺炎和ICH。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,阿魏酸可以通过调节整合机制和关键生物靶标,同时发挥对抗新冠肺炎和ICH的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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

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

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.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Current Research in Toxicology
Current Research in Toxicology Environmental Science-Health, Toxicology and Mutagenesis
CiteScore
4.70
自引率
3.00%
发文量
33
审稿时长
82 days
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信