Exploring the Interaction Mechanism Between Cyclopeptide DC3 and Androgen Receptor Using Molecular Dynamics Simulations and Free Energy Calculations

Androgen receptor (AR) is a key target in the discovery of anti-PCa (Prostate Cancer) drugs. Recently, a novel cyclopeptide Diffusa Cyclotide-3 (DC3), isolated from Hedyotisdiffusa, has been experimentally demonstrated to inhibit the survival and growth of LNCap cells, which typically express T877A-...

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Detalles Bibliográficos
Autores principales: Zhang, Huimin, Song, Tianqing, Yang, Yizhao, Fu, Chenggong, Li, Jiazhong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5932393/
https://www.ncbi.nlm.nih.gov/pubmed/29755968
http://dx.doi.org/10.3389/fchem.2018.00119

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5932393/
https://www.ncbi.nlm.nih.gov/pubmed/29755968
http://dx.doi.org/10.3389/fchem.2018.00119

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