Molecular Dynamic Simulation Analysis on the Inclusion Complexation of Plumbagin with β-Cyclodextrin Derivatives in Aqueous Solution

Stable encapsulation of medically active compounds can lead to longer storage life and facilitate the slow-release mechanism. In this work, the dynamic and molecular interactions between plumbagin molecule with β-cyclodextrin (BCD) and its two derivatives, which are dimethyl-β-cyclodextrin (MBCD), a...

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Principais autores:	Kulpavee Jitapunkul, Pisanu Toochinda, Luckhana Lawtrakul
Formato:	Artigo
Idioma:	Inglês
Publicado:	MDPI AG 2021-11-01
Series:	Molecules
Assuntos:	inclusion complexes β-cyclodextrin 2-<i>O</i>-monohydroxypropyl-β-cyclodextrin dimethyl-β-cyclodextrin plumbagin molecular dynamics simulations
Acceso en liña:	https://www.mdpi.com/1420-3049/26/22/6784
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