摘要
背景:天然产物是发现新的先导化合物和对抗冠状病毒 (CoV) 的有效药物的有用物质。 目的:目前的工作概述了天然物质、植物提取物和精油作为潜在的抗 SARS-CoV 药物。此外,这项工作评估了它们的类药物特性,这对于选择化合物以加速药物开发过程至关重要。 方法:使用 PubMed、ScienceDirect 和 SciFinder 进行搜索。分析和选择了过去 17 年内将植物性天然产物作为潜在 SARS-CoV 或 SARS-CoV-2 病原体的文章。化学计量学分析的描述符在 alvaDesc 中获得,主成分分析 (PCA) 在 SIMCA 13.0 版中进行。 结果:基于体外测定和计算分析,本综述涵盖了 29 种药用植物物种和 300 多种作为潜在抗冠状病毒药物的分离物质。其中,类黄酮和萜烯是最有前景的化合物类别。药物样特性的计算机分析证实了这些发现,并指出了体外和体内研究的有希望的候选物,以验证其活性。 结论:本文强调了民族药理学在药物发现中的作用,并建议使用综合(计算机/体外)和以化学为中心的方法来加强当前的研究并指导抗病毒药物领域的未来研究。
关键词: 天然产物、药物发现、SARS-CoV、SARS-CoV-2、COVID-19,计算机模拟,体外。
Current Medicinal Chemistry
Title:Natural Products as Potential Agents against SARS-CoV and SARSCoV- 2
Volume: 28 Issue: 27
关键词: 天然产物、药物发现、SARS-CoV、SARS-CoV-2、COVID-19,计算机模拟,体外。
摘要:
Background: Natural products are useful agents for the discovery of new lead- compounds and effective drugs to combat coronaviruses (CoV).
Objective: The present work provides an overview of natural substances, plant extracts, and essential oils as potential anti-SARS-CoV agents. In addition, this work evaluates their drug-like properties which are essential in the selection of compounds in order to accelerate the drug development process.
Methods: The search was carried out using PubMed, ScienceDirect and SciFinder. Articles addressing plant-based natural products as potential SARS-CoV or SARS-CoV-2 agents within the last seventeen years were analyzed and selected. The descriptors for Chemometrics analysis were obtained in alvaDesc and the principal component analysis (PCA) was carried out in SIMCA version 13.0.
Results: Based on in vitro assays and computational analyses, this review covers twentynine medicinal plant species and more than 300 isolated substances as potential anti-coronavirus agents. Among them, flavonoids and terpenes are the most promising compound classes. In silico analyses of drug-like properties corroborate these findings and indicate promising candidates for in vitro and in vivo studies to validate their activity.
Conclusion: This paper highlights the role of ethnopharmacology in drug discovery and suggests the use of integrative (in silico/ in vitro) and chemocentric approaches to strengthen current studies and guide future research in the field of antiviral agents.
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Cite this article as:
Natural Products as Potential Agents against SARS-CoV and SARSCoV- 2, Current Medicinal Chemistry 2021; 28 (27) . https://dx.doi.org/10.2174/0929867328666210125113938
DOI https://dx.doi.org/10.2174/0929867328666210125113938 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
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