An innovative method for the selection of inhibitors of the viral spike-glycoprotein of the SARS-CoV

摘要

This paper has developed and described a detailed method for selecting inhibitors based on modified natural peptides for the SARS-CoV BJO1 spike-glycoprotein. The selection of inhibitors is carried out by increasing the affinity of the peptide to the active center of the protein. This paper also provides a step-by-step algorithm for analyzing the affinity of protein interactions and presents an analysis of energy interactions between the active center of a protein and the wild-type peptide interacting with it, taking into account modifications of the latter. A description of the software package that implements the presented algorithm is given on the website https://binomlabs.com/covid19.