Computational investigation of potent inhibitors against SARS-CoV-2 2′-O-methyltransferase (nsp16): Structure-based pharmacophore modeling, molecular docking, molecular dynamics simulations and binding free energy calculations

The Coronavirus Disease 2019 (COVID-19), caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection, has created unprecedented public health and economic crises around the world. SARS-CoV-2 2′-O-methyltransferase (nsp16) adds a “cap” to viral RNA to maintain the stability o...

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Detalles Bibliográficos
Autores principales: Shi, Liying, Wen, Zeyu, Song, Yu, Wang, Jian, Yu, Dayong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Inc. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9385381/
https://www.ncbi.nlm.nih.gov/pubmed/36063745
http://dx.doi.org/10.1016/j.jmgm.2022.108306

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9385381/
https://www.ncbi.nlm.nih.gov/pubmed/36063745
http://dx.doi.org/10.1016/j.jmgm.2022.108306

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