Molecular optimization, docking, and dynamic simulation profiling of selective aromatic phytochemical ligands in blocking the SARS-CoV-2 S protein attachment to ACE2 receptor: an in silico approach of targeted drug designing

OBJECTIVES: The comprehensive in silico study aims to figure out the most effective aromatic phytochemical ligands among a number from a library, considering their pharmacokinetic efficacies in blocking “angiotensin-converting enzyme 2 (ACE2) receptor–severe acute respiratory syndrome coronavirus 2...

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Detalles Bibliográficos
Autores principales: Dey, Dipta, Paul, Parag Kumar, Al Azad, Salauddin, Al Mazid, Mohammad Faysal, Khan, Arman Mahmud, Sharif, Md. Arman, Rahman, Md. Hafijur
Formato: Online Artículo Texto
Lenguaje:English
Publicado: A periodical of the Network for the Veterinarians of Bangladesh (BDvetNET) 2021
Materias:
Original Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8043340/
https://www.ncbi.nlm.nih.gov/pubmed/33860009
http://dx.doi.org/10.5455/javar.2021.h481

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8043340/
https://www.ncbi.nlm.nih.gov/pubmed/33860009
http://dx.doi.org/10.5455/javar.2021.h481

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