id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-282009-a83mun7u	Pundir, Hemlata	Using Chou’s 5-steps rule to study pharmacophore-based virtual screening of SARS-CoV-2 Mpro inhibitors	2020-10-20		.txt	text/plain	6213	360	53	To identify possible inhibitors against SARS-CoV-2, we applied the Pharmacophore-based virtual screening method following Chou's 5-step rule [16] , molecular docking, drug-like analysis, and toxicity prediction (Fig. 1) . After the pharmacophore-based screening using Chou's 5-steps rule, we performed the molecular docking of all screened compounds with crystal structure of SARS-CoV-2 Mpro. After successful completion of MDS, the MD trajectories were used to calculate root mean square deviation (RMSD), root mean square fluctuation (RMSF), radius of gyration (R g ), hydrogen bonds, solvent accessible surface area (SASA) [28] , principal component analysis (PCA) [29] , and distance to analyze the stability of Mpro and Mpro-ligand complex. Pharmacophore-based screening by Chou's 5-steps rule X77 binds to the active site of SARS-CoV-2 Mpro with binding energy − 8.4 kcal/mol as shown in Fig. 2 .	./cache/cord-282009-a83mun7u.txt	./txt/cord-282009-a83mun7u.txt