Computational modelling of nanotube delivery of anti-cancer drug into glutathione reductase enzyme

Density functional theory method combined with docking and molecular dynamics simulations are used to understand the interaction of carmustine with human glutathione reductase enzyme. The active site of the enzyme is evaluated by docking simulation is used for molecular dynamics simulation to delive...

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Detalles Bibliográficos
Autores principales: Begum, Saheen Shehnaz, Das, Dharitri, Gour, Nand Kishor, Deka, Ramesh Chandra
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/PMC7925602/
https://www.ncbi.nlm.nih.gov/pubmed/33654109
http://dx.doi.org/10.1038/s41598-021-84006-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7925602/
https://www.ncbi.nlm.nih.gov/pubmed/33654109
http://dx.doi.org/10.1038/s41598-021-84006-1

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