id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-274839-r4jg6wac	Azam, Faizul	An in-silico analysis of ivermectin interaction with potential SARS-CoV-2 targets and host nuclear importin α	2020-11-02		.txt	text/plain	5156	254	46	Therefore, the current study seeks to employ molecular docking, molecular mechanics generalized Born surface area (MM-GBSA) analysis and molecular dynamics simulation studies for decrypting the binding mode, key interacting residues as well as mechanistic insights on IVM interaction with 15 potential drug targets associated with COVID-19 as well as IMPα. Among all COVID-19 targets, the non-structural protein 9 (Nsp9) exhibited the strongest affinity to IVM showing −5.30 kcal/mol and −84.85 kcal/mol binding energies estimated by AutoDock Vina and MM-GBSA, respectively. Therefore, in this study, molecular docking, molecular mechanics generalized Born surface area (MM-GBSA) and molecular dynamics protocols have been exploited to investigate the binding interactions between IVM and 15 potential drug targets associated with COVID-19 as well as IMPa co-crystallized with NS5 fragment.	./cache/cord-274839-r4jg6wac.txt	./txt/cord-274839-r4jg6wac.txt