id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-330908-402eb8wg	Tsuji, Motonori	Potential anti‐SARS‐CoV‐2 drug candidates identified through virtual screening of the ChEMBL database for compounds that target the main coronavirus protease	2020-05-29		.txt	text/plain	2619	148	48	title: Potential anti‐SARS‐CoV‐2 drug candidates identified through virtual screening of the ChEMBL database for compounds that target the main coronavirus protease Additional docking simulations for predicted compounds with high binding affinity with M(pro) suggested that 28 bioactive compounds may have potential as effective anti‐SARS‐CoV‐2 drug candidates. Additional docking simulations for predicted compounds with high binding affinity with M pro suggested that 28 bioactive compounds may have potential as effective anti-SARS-CoV-2 drug candidates. In this study, I performed stepwise structure-based virtual screenings using two different docking simulations in order to discover potential drugs that target M pro using the ChEMBL database [4] , which mainly lists drugs and known bioactive compounds. Structure-based virtual screenings were performed using RDOCK (2013) [11] and AUTODOCK VINA version 1.1.2 [12] ; both interfaces are available in Docking Study with HYPER-CHEM (DSHC) software [5, 13] , and the resulting docking modes filtered by the RDOCK score threshold were more precisely simulated using AUTODOCK VINA.	./cache/cord-330908-402eb8wg.txt	./txt/cord-330908-402eb8wg.txt