SMILES-based QSAR virtual screening to identify potential therapeutics for COVID-19 by targeting 3CLpro and RdRp viral proteins

Abstract The COVID-19 pandemic has prompted the medical systems of many countries to develop effective treatments to combat the high rate of infection and death caused by the disease. Within the array of proteins found in SARS-CoV-2, the 3 chymotrypsin-like protease (3CLpro) holds significance as it...

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Autori principali:	Faezeh Bazzi-Allahri, Fereshteh Shiri, Shahin Ahmadi, Alla P. Toropova, Andrey A. Toropov
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	BMC 2024-10-01
Serie:	BMC Chemistry
Soggetti:	SMILES-based QSAR classification 3CLpro and RdRp Molecular docking Virtual screening COVID-19
Accesso online:	https://doi.org/10.1186/s13065-024-01302-3
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