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Deprecated: Implicit conversion from float 243.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 J+Biomol+Struct+Dyn 2022 ; 40 (2): 685-695 Nephropedia Template TP
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Virtual screening of approved clinic drugs with main protease (3CL(pro)) reveals potential inhibitory effects on SARS-CoV-2 #MMPMID32909528
Wang Q; Zhao Y; Chen X; Hong A
J Biomol Struct Dyn 2022[Feb]; 40 (2): 685-695 PMID32909528show ga
3CL(pro) is the main protease of the novel coronavirus (SARS-CoV-2) responsible for their intracellular duplication. Based on virtual screening technology and molecular dynamics simulation, we found 23 approved clinical drugs such as Viomycin, Capastat, Carfilzomib and Saquinavir, which showed high affinity with the 3CL(pro) active sites. These findings showed that there were potential drugs that inhibit SARS-Cov-2's 3CL(pro) in the current clinical drug library, and these drugs can be further tested or chemically modified for the treatment of COVID-19.Communicated by Ramaswamy H. Sarma.