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In silico identification and molecular dynamic simulations of derivatives of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide against main protease 3CL(pro) of SARS-CoV-2 viral infection

CONTEXT: The unavailability of target-specific antiviral drugs for SARS-CoV-2 viral infection kindled the motivation to virtually design derivatives of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide as potential antiviral inhibitors against the concerned virus. The molecular docking and molecu...

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Detalles Bibliográficos
Autores principales: Sinha, Prashasti, Yadav, Anil Kumar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10074334/
https://www.ncbi.nlm.nih.gov/pubmed/37017775
http://dx.doi.org/10.1007/s00894-023-05535-2