Title : Transmembrane Protease Serine 2 Proteolytic Cleavage of the SARS-CoV-2 Spike Protein: A Mechanistic Quantum Mechanics/Molecular Mechanics Study to Inspire the Design of New Drugs To Fight the COVID-19 Pandemic.

Pub. Date : 2022 May 23

PMID : 35549216






1 Functional Relationships(s)
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1 Acylation occurred in two stages: (i) proton transfer from Ser441 to His296 concerted with the nucleophilic attack of Ser441 to the substrate"s P1-Arg and (ii) proton transfer from His296 to the P1"-Ser residue concerted with the cleavage of the ArgP1-SerP1" peptide bond, with a Gibbs activation energy of 17.1 and 15.8 kcal mol-1, relative to the reactant. Arginine diacylglycerol O-acyltransferase 1 Homo sapiens