Catechin Derivatives as Inhibitor of COVID-19 Main Protease (Mpro): Molecular Docking Studies Unveil an Opportunity Against CORONA.
Comb Chem High Throughput Screen
; 25(1): 197-203, 2022.
Article
in English
| MEDLINE | ID: covidwho-1502215
ABSTRACT
BACKGROUND:
A newly emergent strain of coronavirus (COVID-19) has affected almost the whole of the world's population. Currently, there is no specific vaccine or drug against COVID-19. Xu et al. (2020) built a homolog model of SARS-CoV-2 Mpro based on SARS-CoV Mpro, which is considered as a target to inhibit the replication of CoV.OBJECTIVE:
The aim of the current study was to find potential inhibitors of COVID-19 Mpro using docking analysis.METHODS:
Autodockvina was used to carry out Protein-Ligand docking. COVID-19 main protease Mpro was docked with catechin and its different synthetic derivatives. Nelfinavir, an antiretroviral drug belonging to protease inhibitors, was taken as the standard.RESULTS:
According to the result obtained, it was found that Compound (4) and Compound (1) have more affinity than nelfinavir.CONCLUSION:
Compounds were found to have a great potential to become COVID-19 main protease Mpro inhibitor. Nevertheless, for their medicinal use, further investigation is necessary.Keywords
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Main subject:
Antiviral Agents
/
Protease Inhibitors
/
Catechin
/
Coronavirus 3C Proteases
/
SARS-CoV-2
Topics:
Vaccines
Limits:
Humans
Language:
English
Journal:
Comb Chem High Throughput Screen
Journal subject:
Molecular Biology
/
Chemistry
Year:
2022
Document Type:
Article
Affiliation country:
1871520620666201123101002
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