Unraveling the origin of interactions of hydroxychloroquine with the receptor-binding domain of SARS-CoV-2 in aqueous medium

Interactions of hydroxychloroquin (HCQ) with the receptor binding domain (RBD) of SARS-CoV-2 were studied from atomistic simulation and ONIOM techniques. The key-residues of RBD responsible for the human transmission are recognized to be blocked in a heterogeneous manner with the favorable formation...

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Detalles Bibliográficos
Autores principales: Santra, Santanu, Giri, Santanab, Jana, Madhurima
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2021
Materias:
Research Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7748971/
https://www.ncbi.nlm.nih.gov/pubmed/33362291
http://dx.doi.org/10.1016/j.cplett.2020.138280

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