Natural inhibitors of SARS-CoV-2 main protease: structure based pharmacophore modeling, molecular docking and molecular dynamic simulation studies

Main protease (M(pro)) plays a key role in replication of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). This study was designed for finding natural inhibitors of SARS-CoV-2 M(pro) by in silico methods. To this end, the co-crystal structure of M(pro) with telaprevir was explored and r...

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Detalles Bibliográficos
Autores principales: Halimi, Mohammad, Bararpour, Parvindokht
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2022
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9420677/
https://www.ncbi.nlm.nih.gov/pubmed/36031629
http://dx.doi.org/10.1007/s00894-022-05286-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9420677/
https://www.ncbi.nlm.nih.gov/pubmed/36031629
http://dx.doi.org/10.1007/s00894-022-05286-6

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