探索抗SARS-CoV-2刺突蛋白的天然植物化合物:药物发现的分析和计算方法

Neelanjan Chowdhury, Suraj Sakharam Kutre, Pethakamsetti Mounika Sai, Satheesh Kumar Nanjappan
{"title":"探索抗SARS-CoV-2刺突蛋白的天然植物化合物:药物发现的分析和计算方法","authors":"Neelanjan Chowdhury,&nbsp;Suraj Sakharam Kutre,&nbsp;Pethakamsetti Mounika Sai,&nbsp;Satheesh Kumar Nanjappan","doi":"10.1016/j.prenap.2025.100191","DOIUrl":null,"url":null,"abstract":"<div><div>The COVID-19 pandemic's unexpected outbreak devastated the global population on all fronts produced by SARS-CoV-2, a new coronavirus that the human immune system had never encountered. Expert opinion nearly instantly agreed that a mass immunization program would be the most efficient means of combating the epidemic by artificially boosting immunity. Nevertheless, it took over a year for the first COVID-19 vaccine to be approved. Definite treatment to manage COVID-19 is still a challenge. Aspirational eyes are being focused on phytoconstituents to eliminate the COVID-19 pandemic. The review's insights include a diverse natural product that appears to be significantly acting on potential host-based and virus-based targets. Lycorene, berberine, cannabidiol, baicalein, punicalagin, mangiferin, and silymarin are some compounds that are being used to manage the COVID-19 pandemic. The first barrier is broken by spike proteins at the membrane with ACE 2 and TMPRSS 2 receptors, where these targets are specifically inhibited by emodin and bromhexine, respectively. <em>Solanum trilobatum</em> L., <em>Alnus japonica, Angelica keiskei</em> (Miq.) Koidz.<em>,</em> and <em>Glycyrrhiza spp</em>. are a few plants that act on CLpro and PLpro proteinases. Helicase, part of RTC, can be blocked by scutellarein, isolated from <em>Scutellaria baicalensis</em> Georgi. Besides synthetic drugs, we must also consciously concentrate on the medicinal values of plant-based resources to defeat any pandemic situation. The review here anchors distinct analytical tools used in diagnosis. Techniques like Mass spectrometry and Nuclear Magnetic Resonance fill up the potential loopholes in conventional RT-PCR.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"6 ","pages":"Article 100191"},"PeriodicalIF":0.0000,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring natural plant compounds against the SARS-CoV-2 spike protein: An analytical and computational approach for drug discovery\",\"authors\":\"Neelanjan Chowdhury,&nbsp;Suraj Sakharam Kutre,&nbsp;Pethakamsetti Mounika Sai,&nbsp;Satheesh Kumar Nanjappan\",\"doi\":\"10.1016/j.prenap.2025.100191\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The COVID-19 pandemic's unexpected outbreak devastated the global population on all fronts produced by SARS-CoV-2, a new coronavirus that the human immune system had never encountered. Expert opinion nearly instantly agreed that a mass immunization program would be the most efficient means of combating the epidemic by artificially boosting immunity. Nevertheless, it took over a year for the first COVID-19 vaccine to be approved. Definite treatment to manage COVID-19 is still a challenge. Aspirational eyes are being focused on phytoconstituents to eliminate the COVID-19 pandemic. The review's insights include a diverse natural product that appears to be significantly acting on potential host-based and virus-based targets. Lycorene, berberine, cannabidiol, baicalein, punicalagin, mangiferin, and silymarin are some compounds that are being used to manage the COVID-19 pandemic. The first barrier is broken by spike proteins at the membrane with ACE 2 and TMPRSS 2 receptors, where these targets are specifically inhibited by emodin and bromhexine, respectively. <em>Solanum trilobatum</em> L., <em>Alnus japonica, Angelica keiskei</em> (Miq.) Koidz.<em>,</em> and <em>Glycyrrhiza spp</em>. are a few plants that act on CLpro and PLpro proteinases. Helicase, part of RTC, can be blocked by scutellarein, isolated from <em>Scutellaria baicalensis</em> Georgi. Besides synthetic drugs, we must also consciously concentrate on the medicinal values of plant-based resources to defeat any pandemic situation. The review here anchors distinct analytical tools used in diagnosis. Techniques like Mass spectrometry and Nuclear Magnetic Resonance fill up the potential loopholes in conventional RT-PCR.</div></div>\",\"PeriodicalId\":101014,\"journal\":{\"name\":\"Pharmacological Research - Natural Products\",\"volume\":\"6 \",\"pages\":\"Article 100191\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-03-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Pharmacological Research - Natural Products\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2950199725000515\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Pharmacological Research - Natural Products","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2950199725000515","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

2019冠状病毒病(COVID-19)大流行的意外爆发,在人类免疫系统从未遇到过的新型冠状病毒SARS-CoV-2产生的各个方面摧毁了全球人口。专家意见几乎立即一致认为,大规模免疫计划将是通过人为提高免疫力来对抗这种流行病的最有效手段。然而,首个COVID-19疫苗花了一年多的时间才获得批准。控制COVID-19的明确治疗仍然是一个挑战。人们满怀希望地关注植物成分,以消除COVID-19大流行。该综述的见解包括一种多种天然产物,它似乎对潜在的基于宿主和基于病毒的靶标有显著作用。石蒜素、小檗碱、大麻二酚、黄芩素、槟榔苷、芒果苷和水飞蓟素是一些用于控制COVID-19大流行的化合物。第一道屏障由带有ACE 2和TMPRSS 2受体的膜上的刺突蛋白打破,这些靶点分别被大黄素和溴甲素特异性抑制。三叶龙葵,日本桤木,当归Koidz。和甘草属是少数作用于CLpro和PLpro蛋白酶的植物。从黄芩中分离得到的黄芩苷能抑制解旋酶(Helicase)。除了合成药物,我们还必须有意识地关注植物资源的药用价值,以战胜任何流行病。本文综述了诊断中使用的不同分析工具。质谱和核磁共振等技术填补了传统RT-PCR的潜在漏洞。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Exploring natural plant compounds against the SARS-CoV-2 spike protein: An analytical and computational approach for drug discovery
The COVID-19 pandemic's unexpected outbreak devastated the global population on all fronts produced by SARS-CoV-2, a new coronavirus that the human immune system had never encountered. Expert opinion nearly instantly agreed that a mass immunization program would be the most efficient means of combating the epidemic by artificially boosting immunity. Nevertheless, it took over a year for the first COVID-19 vaccine to be approved. Definite treatment to manage COVID-19 is still a challenge. Aspirational eyes are being focused on phytoconstituents to eliminate the COVID-19 pandemic. The review's insights include a diverse natural product that appears to be significantly acting on potential host-based and virus-based targets. Lycorene, berberine, cannabidiol, baicalein, punicalagin, mangiferin, and silymarin are some compounds that are being used to manage the COVID-19 pandemic. The first barrier is broken by spike proteins at the membrane with ACE 2 and TMPRSS 2 receptors, where these targets are specifically inhibited by emodin and bromhexine, respectively. Solanum trilobatum L., Alnus japonica, Angelica keiskei (Miq.) Koidz., and Glycyrrhiza spp. are a few plants that act on CLpro and PLpro proteinases. Helicase, part of RTC, can be blocked by scutellarein, isolated from Scutellaria baicalensis Georgi. Besides synthetic drugs, we must also consciously concentrate on the medicinal values of plant-based resources to defeat any pandemic situation. The review here anchors distinct analytical tools used in diagnosis. Techniques like Mass spectrometry and Nuclear Magnetic Resonance fill up the potential loopholes in conventional RT-PCR.
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
自引率
0.00%
发文量
0
×
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