id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-279106-3ffa9djf	Syatila Ab Ghani, Nur	Side chain similarity comparisons for integrated drug repositioning and potential toxicity assessments in epidemic response scenarios: the case for COVID-19	2020-10-21		.txt	text/plain	6970	404	52	In this work, the three-dimensional arrangements of amino acid side chains in known drug binding sites (substructures) were used to search for similarly arranged sites in SARS-CoV-2 protein structures in the Protein Data Bank for the potential repositioning of approved compounds. The investigations of binding properties in disease-related proteins derived from the comparison of amino acid substructure arrangements allows for effective mechanism driven decision making to rank and select only the compounds with the highest potential for success and safety to be prioritized for clinical trials or treatments. In the case of the COVID-19 pandemic caused by the SARS-CoV-2 virus, we demonstrate that the pipeline can identify candidate compounds quickly and sustainably in combination with associated risk factors derived from the analysis of potential off-target site binding by the compounds to be repurposed. 33 In this work, amino acid side chain similarity searching was utilized to propose alternative target sites in 34 SARS-CoV-2 protein structures for drug repositioning.	./cache/cord-279106-3ffa9djf.txt	./txt/cord-279106-3ffa9djf.txt