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Encapsulation mechanism of α-mangostin by β-cyclodextrin: Methods of molecular docking and molecular dynamics

The study aimed to investigate the interaction of host-guest between α-mangostin and β-cyclodextrin (βCD) and also to calculate the energy of the complex system between α-mangostin with βCD for drug delivery using methods of 15 molecular dynamics and molecular docking. Simulation of molecular dockin...

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Detalles Bibliográficos
Autores principales: Triwahyuningtyas, Dian, Megantara, Sandra, Hong, Tai Tze, Yusuf, Muhammad, Muchtaridi, Muchtaridi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Wolters Kluwer - Medknow 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8300334/
https://www.ncbi.nlm.nih.gov/pubmed/34345603
http://dx.doi.org/10.4103/japtr.JAPTR_298_20