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

• 主要な著者: Dian Triwahyuningtyas (著者), Sandra Megantara (著者), Tai Tze Hong (著者), Muhammad Yusuf (著者), Muchtaridi Muchtaridi (著者)
• フォーマット: 図書
• 出版事項: Wolters Kluwer Medknow Publications, 2021-01-01T00:00:00Z.
• 主題: article
• オンライン･アクセス: Connect to this object online.

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...