Computational evidence based perspective on the plausible repositioning of fluoroquinolones for COVID-19 treatment.

IF 1.5 4区 医学 Q4 CHEMISTRY, MEDICINAL Current computer-aided drug design Pub Date : 2022-09-09 DOI:10.2174/1573409918666220909094645
Vikas Yadav
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Abstract

The coronavirus disease (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has become a serious global healthcare crisis, so there is an emergence of identifying efficacious therapeutic options. In a setting where there is an unavailability of definitive medication along with the constant eruption of vaccine-related controversies, the drug-repositioning approach seems to be an ideal step for the management of COVID-19 patients. Fluoroquinolones (FQs) are commonly prescribed antibiotics for the treatment of genitourinary tract and upper respiratory tract infections, including severe community-acquired pneumonia. Research over the years has postulated multifaceted implications of FQs in various pathological conditions. Previously, it has been reported that few, but not all FQs, possess strong antiviral activity with an unknown mechanism of action. Herein, an interesting perspective is discussed on repositioning possibilities of FQs for the SARS-CoV-2 infections based on the recent in silico evidential support. Noteworthy, FQs possess immunomodulatory and bactericidal activity which could be valuable for patients dealing with COVID-19 related complications. Conclusively, the current perspective could pave the way to initiate pre-clinical testing of FQs against several strains of SARS-CoV-2.

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基于计算证据的视角,重新定位氟喹诺酮类药物用于 COVID-19 治疗的合理性。
由严重急性呼吸系统综合征冠状病毒-2(SARS-CoV-2)引起的冠状病毒病(COVID-19)大流行已成为严重的全球医疗危机,因此出现了寻找有效治疗方案的趋势。在无法获得确切药物以及疫苗相关争议不断爆发的情况下,药物重新定位方法似乎是治疗 COVID-19 患者的理想步骤。氟喹诺酮类(FQs)是治疗泌尿生殖道和上呼吸道感染(包括严重的社区获得性肺炎)的常用抗生素。多年来的研究推测了 FQs 在各种病理条件下的多方面影响。此前有报道称,少数(而非全部)FQs 具有很强的抗病毒活性,但作用机制不明。在此,我们根据最近的硅学证据支持,从一个有趣的角度讨论了 FQs 在 SARS-CoV-2 感染中重新定位的可能性。值得注意的是,FQs 具有免疫调节和杀菌活性,这对治疗 COVID-19 相关并发症的患者可能很有价值。总之,目前的观点可以为启动针对多种 SARS-CoV-2 株系的 FQs 临床前测试铺平道路。
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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来源期刊
Current computer-aided drug design
Current computer-aided drug design 医学-计算机:跨学科应用
CiteScore
3.70
自引率
5.90%
发文量
46
审稿时长
>12 weeks
期刊介绍: Aims & Scope Current Computer-Aided Drug Design aims to publish all the latest developments in drug design based on computational techniques. The field of computer-aided drug design has had extensive impact in the area of drug design. Current Computer-Aided Drug Design is an essential journal for all medicinal chemists who wish to be kept informed and up-to-date with all the latest and important developments in computer-aided methodologies and their applications in drug discovery. Each issue contains a series of timely, in-depth reviews, original research articles and letter articles written by leaders in the field, covering a range of computational techniques for drug design, screening, ADME studies, theoretical chemistry; computational chemistry; computer and molecular graphics; molecular modeling; protein engineering; drug design; expert systems; general structure-property relationships; molecular dynamics; chemical database development and usage etc., providing excellent rationales for drug development.
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