A Computational Study on Selected Alkaloids as SARS-CoV-2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics Simulations

Despite treatments and vaccinations, it remains difficult to develop naturally occurring COVID-19 inhibitors. Here, our main objective is to find potential lead compounds from the retrieved alkaloids with antiviral and other biological properties that selectively target the main SARS-CoV-2 protease...

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Detalles Bibliográficos
Autores principales: Mortuza, Md. Golam, Roni, Md Abul Hasan, Kumer, Ajoy, Biswas, Suvro, Saleh, Md. Abu, Islam, Shirmin, Sadaf, Samia, Akther, Fahmida
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10171978/
https://www.ncbi.nlm.nih.gov/pubmed/37181403
http://dx.doi.org/10.1155/2023/9975275

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10171978/
https://www.ncbi.nlm.nih.gov/pubmed/37181403
http://dx.doi.org/10.1155/2023/9975275

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