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Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (M(pro)) inhibitor using docking and molecular dynamics simulations

Novel SARS-CoV-2, an etiological factor of Coronavirus disease 2019 (COVID-19), poses a great challenge to the public health care system. Among other druggable targets of SARS-Cov-2, the main protease (M(pro)) is regarded as a prominent enzyme target for drug developments owing to its crucial role i...

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Detalles Bibliográficos
Autores principales:	Patel, Chirag N., Jani, Siddhi P., Jaiswal, Dharmesh G., Kumar, Sivakumar Prasanth, Mangukia, Naman, Parmar, Robin M., Rawal, Rakesh M., Pandya, Himanshu A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8514552/ https://www.ncbi.nlm.nih.gov/pubmed/34645849 http://dx.doi.org/10.1038/s41598-021-99165-4

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