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Publication

Title:Structure-Activity Relationships in novel non ligand-binding pocket (non-LBP) Diarylhydrazide Antiandrogens
Authors:Caboni, L, Egan, B, Kelly, B, Blanco, F, Fayne, D, Meegan, MJ, Lloyd, DG., 2013
Abstract: We report the synthesis and a study of the structure–activity relationships of a new series of diarylhydrazides as potential selective non-ligand binding pocket androgen receptor antagonists. Their biological activity as antiandrogens in the context of the development of treatments for castration resistant prostate cancer was evaluated using in vitro time resolved fluorescence resonance energy transfer and fluorescence polarization on target assays. Additionally, a theoretical study combining docking and molecular dynamics methods was performed to provide insight into their mechanism of action as a basis for further lead optimization studies.
ICHEC Project:Study of Weak Interactions in Protein-Ligand Models using Quantum Mechanical Calculations to Aid the Design of Novel LXRalpha Modulators.
Publication:J. Chem. Inf. Model. 2013, 53 (8), 2116–2130
URL: http://pubs.acs.org/doi/abs/10.1021/ci400189m
Status: Published

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