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Molecular dynamics simulations and experimental studies reveal differential permeability of withaferin-A and withanone across the model cell membrane

Poor bioavailability due to the inability to cross the cell membrane is one of the major reasons for the failure of a drug in clinical trials. We have used molecular dynamics simulations to predict the membrane permeability of natural drugs—withanolides (withaferin-A and withanone) that have similar...

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Detalles Bibliográficos
Autores principales:	Wadhwa, Renu, Yadav, Neetu Singh, Katiyar, Shashank P., Yaguchi, Tomoko, Lee, Chohee, Ahn, Hyomin, Yun, Chae-Ok, Kaul, Sunil C., Sundar, Durai
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/PMC7840742/ https://www.ncbi.nlm.nih.gov/pubmed/33504873 http://dx.doi.org/10.1038/s41598-021-81729-z

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