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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

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