id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-287091-a3nieh5p	Kumar, Anuj	Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches	2020-06-04		.txt	text/plain	5544	314	51	In the current study, we report novel natural metabolites namely, ursolic acid, carvacrol and oleanolic acid as the potential inhibitors against main protease (M(pro)) of COVID-19 by using integrated molecular modeling approaches. Besides the uses of various FDA-approved antiviral compounds as mentioned above, there are many in-silico studies have been performed to screen the novel phytochemical molecules as a potential inhibitors of main protease of SARS-CoV-2 or develop new drugs against COVID-19 (Adem et al., 2020; Chandel et al., 2020; Gentile et al., 2020; Gonzalez-Paz et al., 2020; Khaerunnisa et al., 2020; Khan et al., 2020; Qamar et al., 2020; Sharma & Kaur, 2020; Sun et al., 2020) . In the present study, we have targeted the protease of SARS-CoV-2 virus using available molecular modelling based methods and studied the interactions with selected natural compounds (ursolic acid, carvacrol and oleanolic acid) by molecular docking and molecular dynamics simulations followed by molecular mechanic/generalized Born/Poisson-Boltzmann surface area (MM/G/P/BSA) validation.	./cache/cord-287091-a3nieh5p.txt	./txt/cord-287091-a3nieh5p.txt