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Insights from molecular dynamics and DFT calculations into the interaction of 1,4-benzodiazepines with 2-hydroxypropyl-βCD in a theoretical study

This study delves into the interaction between benzodiazepine (BZD) drugs and 2-hydroxypropyl-β-cyclodextrin (2HPβCD), a cyclodextrin (CD) known to improve drug delivery and enhance therapeutic outcomes. We find that the 2HPβCD’s atoms become more rigid in the presence of chlordiazepoxide (CDP), clo...

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Detalles Bibliográficos
Autores principales:	Ganjali Koli, Mokhtar, Eshaghi Malekshah, Rahime, Hajiabadi, Hossein
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10277284/ https://www.ncbi.nlm.nih.gov/pubmed/37332009 http://dx.doi.org/10.1038/s41598-023-36385-w

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