SARS-CoV-2 PLpro Inhibition: Evaluating in Silico Repurposed Fidaxomicin's Antiviral Activity Through In Vitro Assessment

IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY ChemistryOpen Pub Date : 2024-08-05 DOI:10.1002/open.202400091
B.Sc. Sara Protić, M.Sc. Milica Crnoglavac Popović, M.Sc. Nevena Kaličanin, Dr. Olivera Prodanović, Dr. Milan Senćanski, Dr. Jelena Milićević, Dr. Kristina Stevanović, Dr. Vladimir Perović, Dr. Slobodan Paessler, Dr. Radivoje Prodanović, Dr. Sanja Glišić
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Abstract

The emergence of drug-resistant viruses and novel strains necessitates the rapid development of novel antiviral therapies. This need was particularly demanding during the COVID-19 pandemic. While de novo drug development is a time-consuming process, repurposing existing approved medications offers a more expedient approach. In our prior in silico screening of the DrugBank database, fidaxomicin emerged as a potential SARS-CoV-2 papain-like protease inhibitor. This study extends those findings by investigating fidaxomicin‘s antiviral properties in vitro. Our results support further exploration of fidaxomicin as a therapeutic candidate against SARS-CoV-2, given its promising in vitro antiviral activity and favorable safety profile.

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SARS-CoV-2 PLpro 抑制:通过体外评估评估硅学中重新设计的非达霉素的抗病毒活性
抗药性病毒和新型病毒株的出现要求快速开发新型抗病毒疗法。在 COVID-19 大流行期间,这种需求尤为迫切。虽然从头开始开发药物是一个耗时的过程,但重新利用现有的已批准药物则是一种更为快捷的方法。在我们之前对 DrugBank 数据库进行的硅学筛选中,发现非达霉素是一种潜在的 SARS-CoV-2 类木瓜蛋白酶抑制剂。本研究通过在体外研究非达霉素的抗病毒特性扩展了这些发现。鉴于菲达霉素具有良好的体外抗病毒活性和安全性,我们的研究结果支持进一步探索将菲达霉素作为抗SARS-CoV-2的候选治疗药物。
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来源期刊
ChemistryOpen
ChemistryOpen CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
4.80
自引率
4.30%
发文量
143
审稿时长
1 months
期刊介绍: ChemistryOpen is a multidisciplinary, gold-road open-access, international forum for the publication of outstanding Reviews, Full Papers, and Communications from all areas of chemistry and related fields. It is co-owned by 16 continental European Chemical Societies, who have banded together in the alliance called ChemPubSoc Europe for the purpose of publishing high-quality journals in the field of chemistry and its border disciplines. As some of the governments of the countries represented in ChemPubSoc Europe have strongly recommended that the research conducted with their funding is freely accessible for all readers (Open Access), ChemPubSoc Europe was concerned that no journal for which the ethical standards were monitored by a chemical society was available for such papers. ChemistryOpen fills this gap.
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