id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-322811-6lebh7ca	Baig, Mirza S.	Identification of a Potential Peptide Inhibitor of SARS-CoV-2 Targeting its Entry into the Host Cells	2020-06-26		.txt	text/plain	4119	245	53	METHODS: Docking and Molecular Dynamics (MD) simulation studies revealed that designed peptide maintains their secondary structure and provide a highly specific and stable binding (blocking) to SARS-CoV-2. RESULTS: We have designed a novel peptide that could inhibit SARS-CoV-2 spike protein interaction with ACE2, thereby blocking the cellular entry of the virus. Currently, the computational analysis of structural differences in human ACE2 impact its binding to the SARS-CoV-2 spike protein, which thereby lays a foundation for the design and development of ACE2-based peptide inhibitors of SARS-CoV-2 [47] [48] [49] . After a detailed analysis of interface residues, a small stretch of the ACE2 PD N-terminal region (23-amino acids: Glu23 to Leu45) was found to be interacting majorly with the SARS-CoV-2 spike protein ( Fig. 2 and Table 1 ). Computational alanine (A) scanning was performed to identify the critically important amino acids of the 23aa peptide inhibitor involved in binding to the SARS-CoV-2 spike protein.	./cache/cord-322811-6lebh7ca.txt	./txt/cord-322811-6lebh7ca.txt