Structural modification of antineoplastic drug carmofur designed to the inhibition of SARS-CoV-2 main protease: A theoretical investigation

A coherent account of the reaction mechanistic details, structural modifications, and inhibition potentials of antineoplastic drug carmofur and its modified analogs to inhibition of SARS-CoV-2 main protease (M(pro)) is reported. The survey is performed by integrating the density functional based tig...

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Detalles Bibliográficos
Autores principales: Hemati, Niloofar, Hadidi, Saba, Shiri, Farshad, Farzaei, Mohammad Hosein
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Published by Elsevier B.V. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8656244/
https://www.ncbi.nlm.nih.gov/pubmed/34904062
http://dx.doi.org/10.1016/j.rechem.2021.100259

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8656244/
https://www.ncbi.nlm.nih.gov/pubmed/34904062
http://dx.doi.org/10.1016/j.rechem.2021.100259

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