Rational approaches to discover SARS-CoV-2/ACE2 interaction inhibitors: Pharmacophore-based virtual screening, molecular docking, molecular dynamics and binding free energy studies

The lack of effective treatment remains a bottleneck in combating the current coronavirus family pandemic, particularly coronavirus 2019 (COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The infection of host cells by SARS-CoV-2 is mediated by the binding o...

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Detalles Bibliográficos
Autores principales: Yazdani, Mohsen, Jafari, Ameneh, Mahdian, Soodeh, Namazi, Mohsen, Gharaghani, Sajjad
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9889117/
https://www.ncbi.nlm.nih.gov/pubmed/36747970
http://dx.doi.org/10.1016/j.molliq.2023.121345

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