id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-274252-h4occy7h	de Lima Menezes, Gabriela	Identification of potential drugs against SARS-CoV-2 non-structural protein 1 (nsp1)	2020-07-13		.txt	text/plain	4147	262	56	After main pocket validation using two control drugs and the main conformations of nsp1, molecular docking based on virtual screening were performed to identify novel potential inhibitors from DrugBank database. Three of them was ranked as the best compounds among them and showed better energy score than control molecules that have in vitro activity against nsp1 from SARS-CoV-2. Due to lack of active site information a blind docking using two cyclophilin inhibitors described as potential CoV suppressors (Carbajo-Lozoya et al., 2014; Kamitani et al., 2009; Pfefferle et al., 2011) were performed by AutoDock Vina (Morris et al., 2009 ) with nsp1 conformations in order to define the best pocket for virtual screening. After that, based on AutoDock Vina energy scores, it was possible to identify the main residues/regions involved in the interactions and thus define the target pockets to be used in the virtual screening simulations with DrugBank database.	./cache/cord-274252-h4occy7h.txt	./txt/cord-274252-h4occy7h.txt