Exploring the inhibitory potential of Saussurea costus and Saussurea involucrata phytoconstituents against the Spike glycoprotein receptor binding domain of SARS-CoV-2 Delta (B.1.617.2) variant and the main protease (M(pro)) as therapeutic candidates, using Molecular docking, DFT, and ADME/Tox studies

The B.1.617.2 Delta variant is considered to be the most infectious of all SARS-CoV2 variants. Here, an attempt has been made through in-silico screening of 55 bioactive compounds from two selected plants, Saussurea costus and Saussurea involucrata as potential inhibitors of two viral proteases, mai...

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Detalles Bibliográficos
Autores principales: Houchi, Selma, Messasma, Zakia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8993769/
https://www.ncbi.nlm.nih.gov/pubmed/35431327
http://dx.doi.org/10.1016/j.molstruc.2022.133032

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8993769/
https://www.ncbi.nlm.nih.gov/pubmed/35431327
http://dx.doi.org/10.1016/j.molstruc.2022.133032

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