id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-313755-y7regza1	Mitra, Kartik	Dual inhibitors of SARS-CoV-2 proteases: pharmacophore and molecular dynamics based drug repositioning and phytochemical leads	2020-07-22		.txt	text/plain	5226	285	50	Further, docking of these candidates against SARS-CoV-2 3CLp and PLp indicated that nelfinavir, tipranavir, novobiocin and ofloxacin, possessed better binding potential when compared to lopinavir (binding energy ¼ -7.3 kcal/mol). Our study suggests that nelfinavir and tipranavir (existing anti-HIV protease inhibitors) which bears the desired pharmacophoric features could be considered as potential candidates for inhibiting SARS-CoV-2 proteases. It is heartening to note that these natural products identified in the study have also shown in vitro anti-viral activity against several viruses and hence can be considered as potential lead candidates for designing SARS-CoV-2 inhibitors. The top two candidates with best docking binding energy were selected from the final shortlisted candidates, namely nelfinavir and tipranavir from FDA-approved drugs and licochalcone-D and wedelolactone from natural product database for molecular dynamics simulations studies with both the proteases.	./cache/cord-313755-y7regza1.txt	./txt/cord-313755-y7regza1.txt