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Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore sites

The RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 is one of the optimum targets for antiviral drug design and development. The hydroxyl groups of cytidine structures were modified with different aliphatic and aromatic groups to obtain 5´-O-acyl and 2´,3´-di-O-acyl derivatives, and then, these de...

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Detalles Bibliográficos
Autores principales:	M. A. Kawsar, Sarkar, Hosen, Mohammed A., Ahmad, Sajjad, El Bakri, Youness, Laaroussi, Hamid, Ben Hadda, Taibi, Almalki, Faisal A., Ozeki, Yasuhiro, Goumri-Said, Souraya
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2022
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9704642/ https://www.ncbi.nlm.nih.gov/pubmed/36441684 http://dx.doi.org/10.1371/journal.pone.0273256

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