Author: Maria Bzówka; Karolina Mitusinska; Agata Raczynska; Aleksandra Samol; Jack Tuszynski; Artur Góra
Title: Molecular Dynamics Simulations Indicate the SARS-CoV-2 Mpro Is Not a Viable Target for Small-Molecule Inhibitors Design Document date: 2020_3_2
ID: mp3a9c9u_37
Snippet: SARS-CoV-2 Mpro was downloaded from the PDB as a complex with an N3 inhibitor (PDB ID: 6lu7). Tblastn [55] was run based on the protein amino acid sequence. 100% identity with 10055-10972 region of SARS-CoV-2 Mpro complete genome (Sequence ID: MN985262.1) was obtained. Blastx [56] calculations were run with the selected region, and orf1a polyprotein (NCBI Reference Sequence: YP_009725295.1) amino acid sequence, identical with the previously downl.....
Document: SARS-CoV-2 Mpro was downloaded from the PDB as a complex with an N3 inhibitor (PDB ID: 6lu7). Tblastn [55] was run based on the protein amino acid sequence. 100% identity with 10055-10972 region of SARS-CoV-2 Mpro complete genome (Sequence ID: MN985262.1) was obtained. Blastx [56] calculations were run with the selected region, and orf1a polyprotein (NCBI Reference Sequence: YP_009725295.1) amino acid sequence, identical with the previously downloaded SARS-CoV-2 Mpro, was received.
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