Structural Changes Due to Antagonist Binding in Ligand Binding Pocket of Androgen Receptor Elucidated Through Molecular Dynamics Simulations

Structural Changes Due to Antagonist Binding in Ligand Binding Pocket of Androgen Receptor Elucidated Through Molecular Dynamics Simulations

When a small molecule binds to the androgen receptor (AR), a conformational change can occur which impacts subsequent binding of co-regulator proteins and DNA. In order to accurately study this mechanism, the scientific community needs a crystal structure of the Wild type AR (WT-AR) ligand binding d...

Full description

Bibliographic Details
Main Authors: Sugunadevi Sakkiah, Rebecca Kusko, Bohu Pan, Wenjing Guo, Weigong Ge, Weida Tong, Huixiao Hong
Format: Article
Language:English
Published: Frontiers Media S.A. 2018-05-01
Series:Frontiers in Pharmacology
Subjects:
androgen receptor
molecular dynamics simulations
induced molecular docking
bicalutamide
agonist
antagonist
Online Access:http://journal.frontiersin.org/article/10.3389/fphar.2018.00492/full

Internet

http://journal.frontiersin.org/article/10.3389/fphar.2018.00492/full

Similar Items