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Discovery of genistein derivatives as potential SARS-CoV-2 main protease inhibitors by virtual screening, molecular dynamics simulations and ADMET analysis

Background: Due to the constant mutation of virus and the lack of specific therapeutic drugs, the coronavirus disease 2019 (COVID-19) pandemic caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) still poses a huge threat to the health of people, especially those with underlyin...

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Detalles Bibliográficos
Autores principales: Liu, Jiawei, Zhang, Ling, Gao, Jian, Zhang, Baochen, Liu, Xiaoli, Yang, Ninghui, Liu, Xiaotong, Liu, Xifu, Cheng, Yu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9452787/
https://www.ncbi.nlm.nih.gov/pubmed/36091808
http://dx.doi.org/10.3389/fphar.2022.961154