id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-293304-kakxmc14	Achutha, A. S.	Theoretical Insights into the Anti-SARS-CoV-2 Activity of Chloroquine and Its Analogs and In Silico Screening of Main Protease Inhibitors	2020-09-22		.txt	text/plain	5877	369	58	The interactions with the active site residues especially with Cys145 and His41, which are involved in catalytic diad for proteolysis, make these compounds potent main protease inhibitors. Molecular docking studies with the 3CL pro protein were performed to analyze the drug likeness as well as to correlate the binding energy of the docked complex with various physicochemical properties of the active molecules, which will aid in the design of new anti-COVID-19 medicatives. By using the formulated regression Model 2, we predicted the binding energy of some primaquine analogs obtained from the literature and PubChem database and then carried out their molecular docking studies on 3CL pro target to check the inhibitory potency of the ligands, given in Table 4 . Thirty molecules that showed lower binding energies were subjected to molecular docking analysis to identify the potent 3CL pro inhibitors (Supplementary Figure S5) .	./cache/cord-293304-kakxmc14.txt	./txt/cord-293304-kakxmc14.txt