In silico approach for the development of novel antiviral compounds based on SARS-COV-2 protease inhibition

The COVID-19 pandemic emerged in 2019, bringing with it the need for greater stores of effective antiviral drugs. This paper deals with the conformation-independent, QSAR model, developed by employing the Monte Carlo optimization method, as well as molecular graphs and the SMILES notation-based desc...

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Detalles Bibliográficos
Autores principales: Ničkčović, Vanja P., Nikolić, Gordana R., Nedeljković, Biserka M., Mitić, Nebojša, Danić, Snežana Filipović, Mitić, Jadranka, Marčetić, Zoran, Sokolović, Dušan, Veselinović, Aleksandar M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Versita 2022
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8977062/
https://www.ncbi.nlm.nih.gov/pubmed/35400796
http://dx.doi.org/10.1007/s11696-022-02170-8

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