Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation

ABSTRACT: The pandemic outbreak of the Corona viral infection has become a critical global health issue. Biophysical and structural evidence shows that spike protein possesses a high binding affinity towards host angiotensin-converting enzyme 2 and viral hemagglutinin-acetylesterase (HE) glycoprotei...

Descripción completa

Detalles Bibliográficos
Autores principales: Patel, Chirag N., Kumar, Sivakumar Prasanth, Pandya, Himanshu A., Rawal, Rakesh M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2020
Materias:
Original Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7524381/
https://www.ncbi.nlm.nih.gov/pubmed/32996011
http://dx.doi.org/10.1007/s11030-020-10135-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7524381/
https://www.ncbi.nlm.nih.gov/pubmed/32996011
http://dx.doi.org/10.1007/s11030-020-10135-w

Ejemplares similares