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Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation, and pharmacokinetic ADMET parameters

SARS-COV-2 virus causes (COVID-19) disease; it has become a global pandemic since 2019 and has negatively affected all aspects of human life. Scientists have made great efforts to find a reliable cure, vaccine, or treatment for this emerging disease. Efforts have been directed towards using medicina...

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Detalles Bibliográficos
Autores principales:	Hajji, Halima, Alaqarbeh, Marwa, Lakhlifi, Tahar, Ajana, Mohammed Aziz, Alsakhen, Nada, Bouachrine, Mohammed
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier Ltd. 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9554895/ https://www.ncbi.nlm.nih.gov/pubmed/36257276 http://dx.doi.org/10.1016/j.compbiomed.2022.106209

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