id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-263576-pn2zieek	Das, Sourav	An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study	2020-05-13		.txt	text/plain	5000	266	54	Here, in this study, we have utilized a blind molecular docking approach to identify the possible inhibitors of the SARS-CoV-2 main protease, by screening a total of 33 molecules which includes natural products, anti-virals, anti-fungals, anti-nematodes and anti-protozoals. Hydroxychloroquine, a promising candidate for the treatment of the current pandemic due to SARS-CoV-2 (Gautret et al., 2020) , has been found to bind within the active site of the protease through p-sulphur interaction with MET165, p-sigma with GLN189, alkyl hydrophobic with LEU167 and PRO168, and van der Waals interactions with other residues as shown in Figure 2c . Curcumin, a potent bioactive molecule binds in the active site of SARS-CoV-2 M pro (Figure 3a ) through hydrogen bonding with GLY143 and GLN192, p-sulphur, p-sigma interactions with CYS145 and PRO168, respectively, along with other non-covalent interactions such as van der Waals interactions with other residues as shown in the 2 D plot (Figure Table 1 .	./cache/cord-263576-pn2zieek.txt	./txt/cord-263576-pn2zieek.txt