气候变化领域集成服务门户(CCPortal): Bepridil is potent against SARS-CoV-2 in vitro

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DOI	10.1073/pnas.2012201118
	Bepridil is potent against SARS-CoV-2 in vitro
	Vatansever E.C.; Yang K.S.; Drelich A.K.; Kratch K.C.; Cho C.-C.; Kempaiah K.R.; Hsu J.C.; Mellott D.M.; Xu S.; Tseng C.-T.K.; Liu W.R.
发表日期	2021
ISSN	00278424
卷号	118 期号:10
英文摘要	Guided by a computational docking analysis, about 30 Food and Drug Administration/European Medicines Agency (FDA/EMA)-approved small-molecule medicines were characterized on their inhibition of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro). Of these small molecules tested, six displayed a concentration that inhibits response by 50% (IC50) value below 100 μM in inhibiting Mpro, and, importantly, three, that is, pimozide, ebastine, and bepridil, are basic molecules that potentiate dual functions by both raising endosomal pH to interfere with SARS-CoV-2 entry into the human cell host and inhibiting Mpro in infected cells. A live virus-based modified microneutralization assay revealed that bepridil possesses significant anti−SARS-CoV-2 activity in both Vero E6 and A459/ ACE2 cells in a dose-dependent manner with low micromolar effective concentration, 50% (EC50) values. Therefore, the current study urges serious considerations of using bepridil in COVID-19 clinical tests. © 2021 National Academy of Sciences. All rights reserved.
英文关键词	Bepridil; COVID-19; Drug repurposing; Main protease; SARS-CoV-2
语种	英语
scopus关键词	antivirus agent; bepridil; A-549 cell line; animal; chemical structure; Chlorocebus aethiops; drug development; drug effect; human; molecular docking; molecular library; Vero cell line; A549 Cells; Animals; Antiviral Agents; Bepridil; Chlorocebus aethiops; Drug Discovery; Humans; Molecular Docking Simulation; Molecular Structure; SARS-CoV-2; Small Molecule Libraries; Vero Cells
来源期刊	Proceedings of the National Academy of Sciences of the United States of America
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/180436
作者单位	Texas A&M Drug Discovery Laboratory, Department of Chemistry, Texas A&M University, College Station, TX 77843, United States; Department of Microbiology and Immunology, University of Texas Medical Branch, Galveston, TX 77555, United States; Department of Biochemistry and Biophysics, Texas A&M University, College Station, TX 77843, United States; Center of Biodefense and Emerging Disease, University of Texas Medical Branch, Galveston, TX 77555, United States; Institute of Biosciences and Technology, College of Medicine, Texas A&M University, Houston, TX 77030, United States; Department of Translational Medical Sciences, College of Medicine, Texas A&M University, Houston, TX 77030, United States; Department of Molecular and Cellular Medicine, College of Medicine, Texas A&M University, College Station, TX 77843, United States
推荐引用方式 GB/T 7714	Vatansever E.C.,Yang K.S.,Drelich A.K.,et al. Bepridil is potent against SARS-CoV-2 in vitro[J],2021,118(10).
APA	Vatansever E.C..,Yang K.S..,Drelich A.K..,Kratch K.C..,Cho C.-C..,...&Liu W.R..(2021).Bepridil is potent against SARS-CoV-2 in vitro.Proceedings of the National Academy of Sciences of the United States of America,118(10).
MLA	Vatansever E.C.,et al."Bepridil is potent against SARS-CoV-2 in vitro".Proceedings of the National Academy of Sciences of the United States of America 118.10(2021).