Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysis

COVID-19 caused by the SARS-CoV-2 is a current global challenge and urgent discovery of potential drugs to combat this pandemic is a need of the hour. 3-chymotrypsin-like cysteine protease (3CLpro) enzyme is the vital molecular target against the SARS-CoV-2. Therefore, in the present study, 1528 ant...

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Detalles Bibliográficos
Autores principales: Nand, Mahesha, Maiti, Priyanka, Joshi, Tushar, Chandra, Subhash, Pande, Veena, Kuniyal, Jagdish Chandra, Ramakrishnan, Muthannan Andavar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7683650/
https://www.ncbi.nlm.nih.gov/pubmed/33230180
http://dx.doi.org/10.1038/s41598-020-77524-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7683650/
https://www.ncbi.nlm.nih.gov/pubmed/33230180
http://dx.doi.org/10.1038/s41598-020-77524-x

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