In Silico Evaluation of Prospective Anti-COVID-19 Drug Candidates as Potential SARS-CoV-2 Main Protease Inhibitors.

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作者： Mahmoud A A,Ibrahim ^[1] ; Alaa H M,Abdelrahman ^[2] ; Khaled S,Allemailem ^[3] ; Ahmad,Almatroudi ^[3] ; Mahmoud F,Moustafa ^[4] ; Mohamed-Elamir F,Hegazy ^[5]

作者单位： Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt. m.ibrahim@compchem.net. ^[1] Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt. ^[2] Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, Saudi Arabia. ^[3] Department of Biology, College of Science, King Khalid University, Abha, Saudi Arabia. ^[4] Department of Botany & Microbiology, Faculty of Science, South Valley University, Qena, Egypt. ^[5] Chemistry of Medicinal Plants Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza, Egypt. ^[6]

关键词 COVID-19 Molecular docking Molecular dynamics Repositioned drugs SARS-CoV-2 main protease

主题词药物发现(Drug Discovery);人类(Humans);蛋白酶抑制药(Protease Inhibitors)

DOI 10.1007/s10930-020-09945-6

PMID 33387249

发布时间 2022-12-07

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