id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-030535-8o7rzb98	Zhang, Sheng	Structure-Based Drug Design of an Inhibitor of the SARS-CoV-2 (COVID-19) Main Protease Using Free Software: A Tutorial for Students and Scientists	2020-08-12		.txt	text/plain	2718	178	59	The tutorial begins with the X-ray crystallographic structure of the main protease (Mpro) of the SARS coronavirus (SARS-CoV) bound to a peptide substrate and then uses the UCSF Chimera software to modify the substrate to create a cyclic peptide inhibitor within the Mpro active site. In this tutorial, we will use the X-ray crystallographic structure of the homologous SARS-CoV M pro bound to a protein substrate to recapitulate the design of a cyclic peptide inhibitor of the SARS-CoV-2 M pro . 8 We will first use the molecular modeling software UCSF Chimera to visualize the X-ray crystallographic structure of the SARS-CoV M pro bound to the protein substrate. In structure-based drug design, we would typically now synthesize the cyclic peptide inhibitor and evaluate its activity experimentally through studying its ability to block the cleavage of a fluorogenic peptide substrate by SARS-CoV-2 M pro .	./cache/cord-030535-8o7rzb98.txt	./txt/cord-030535-8o7rzb98.txt