Computational analysis of macrolides as SARS-CoV-2 main protease inhibitors: a pattern recognition study based on molecular topology and validated by molecular docking
Author:
Affiliation:
1. Molecular Topology and Drug Design Unit
2. Department of Physical Chemistry
3. University of Valencia
4. Valencia
5. Spain
6. Instituto de Tecnología Química
7. UPV-CSIC
8. Universidad Politécnica de Valencia
Abstract
Macrolides share the same chemo-mathematical pattern as SARS-CoV-2 protease inhibitors.
Funder
Ministerio de Economía, Industria y Competitividad, Gobierno de España
Generalitat Valenciana
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D0NJ05983H
Reference59 articles.
1. WHO Coronavirus (COVID-19) Dashboard https://covid19.who.int/ , Accessed March 15, 2021
2. A drug repurposing screen identifies hepatitis C antivirals as inhibitors of the SARS-CoV2 main protease
3. Targeting multiple conformations of SARS-CoV2 Papain-Like Protease for drug repositioning: An in-silico study
4. Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein
5. Dual inhibitors of SARS-CoV-2 proteases: pharmacophore and molecular dynamics based drug repositioning and phytochemical leads
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