Flavonoid as possible therapeutic targets against COVID-19: a scoping review of in silico studies.

Larissa Toigo, Emilly Isabelli Dos Santos Teodoro, Ana Carolina Guidi, Naiara Cássia Gancedo, Marcus Vinícius Petruco, Eduardo Borges Melo, Fernanda Stumpf Tonin, Fernando Fernandez-Llimos, Danielly Chierrito, João Carlos Palazzo de Mello, Daniela Cristina de Medeiros Araújo, Andréia Cristina Conegero Sanches
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引用次数: 1

Abstract

Objectives: This scoping review aims to present flavonoid compounds' promising effects and possible mechanisms of action on potential therapeutic targets in the SARS-CoV-2 infection process.

Methods: A search of electronic databases such as PubMed and Scopus was carried out to evaluate the performance of substances from the flavonoid class at different stages of SARS-CoV-2 infection.

Results: The search strategy yielded 382 articles after the exclusion of duplicates. During the screening process, 265 records were deemed as irrelevant. At the end of the full-text appraisal, 37 studies were considered eligible for data extraction and qualitative synthesis. All the studies used virtual molecular docking models to verify the affinity of compounds from the flavonoid class with crucial proteins in the replication cycle of the SARS-CoV-2 virus (Spike protein, PLpro, 3CLpro/ MPro, RdRP, and inhibition of the host's ACE II receptor). The flavonoids with more targets and lowest binding energies were: orientin, quercetin, epigallocatechin, narcissoside, silymarin, neohesperidin, delphinidin-3,5-diglucoside, and delphinidin-3-sambubioside-5-glucoside.

Conclusion: These studies allow us to provide a basis for in vitro and in vivo assays to assist in developing drugs for the treatment and prevention of COVID-19.

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类黄酮作为抗COVID-19可能的治疗靶点:计算机研究的范围综述
目的:本范围综述旨在介绍类黄酮化合物在严重急性呼吸系统综合征冠状病毒2型感染过程中对潜在治疗靶点的良好作用和可能的作用机制。方法:检索PubMed和Scopus等电子数据库,评估类黄酮类物质在严重急性呼吸系统综合征冠状病毒2型感染不同阶段的表现。结果:排除重复后,搜索策略产生382篇文章。在筛选过程中,265份记录被认为是不相关的。在全文评估结束时,37项研究被认为有资格进行数据提取和定性综合。所有研究都使用虚拟分子对接模型来验证类黄酮类化合物与严重急性呼吸系统综合征冠状病毒2型病毒复制周期中的关键蛋白质(刺突蛋白、PLpro、3CLpro/MPro、RdRP和对宿主ACE II受体的抑制)的亲和力。具有更多靶点和最低结合能的黄酮类化合物是:定向素、槲皮素、表没食子儿茶素、水仙花苷、水飞蓟素、新橙皮苷、飞燕草苷-3,5-二葡萄糖苷和飞燕草素-3-桑巴苷-5-葡萄糖苷。结论:这些研究使我们能够为体外和体内检测提供基础,以协助开发治疗和预防新冠肺炎的药物。
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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