Chetomin, a sars-cov-2 3c-like protease (3clpro) inhibitor: in silico screening, enzyme docking, molecular dynamics and pharmacokinetics analysis

HIGHLIGHTS

• who: Mahmoud A. A. Ibrahim and colleagues from the Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, University, School of Health Sciences, University of KwaZulu-Natal, Westville, Durban, South Africa have published the research work: Chetomin, a SARS-CoV-2 3C-like Protease (3CLpro) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis, in the Journal: Viruses 2023, 250 of 11/02/2022
• what: The authors explore MNPs as 3CLpro inhibitors by screening a database containing >14,000 compounds using in Silico molecular docking techniques.

SUMMARY

Under the framework . . .

 



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