Molecular dynamics simulations and experimental studies reveal differential permeability of withaferin-A and withanone across the model cell membrane
Abstract 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 hav...
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Autores principales: | Renu Wadhwa, Neetu Singh Yadav, Shashank P. Katiyar, Tomoko Yaguchi, Chohee Lee, Hyomin Ahn, Chae-Ok Yun, Sunil C. Kaul, Durai Sundar |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
Nature Portfolio
2021
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Materias: | |
Acceso en línea: | https://doaj.org/article/290ac1e53745458f8bf77d2bdd372a0e |
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