Development of Force Field Parameters for p-Carborane to Investigate the Structural Influence of Carborane Derivatives on Drug Targets by Complex Formation

Androgen receptor (AR) has a key role in the development and progression of prostate cancer, and AR antagonists are used for its remedy. Recently, carborane derivatives, which are carbon-containing boron clusters have attracted attention as new AR ligands. Here we determined the force field paramete...

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Veröffentlicht in:	Biological & pharmaceutical bulletin 2020/12/01, Vol.43(12), pp.1931-1939
Hauptverfasser:	Kato, Koichi, Nakayoshi, Tomoki, Inoue, Hiroki, Fukuyoshi, Shuichi, Ohta, Kiminori, Endo, Yasuyuki, Kurimoto, Eiji, Oda, Akifumi
Format:	Artikel
Sprache:	eng
Schlagworte:	androgen receptor Androgen receptors Antagonists Boron carborane Drug development force field parameter Ligands molecular dynamics simulation Prostate cancer Simulation Therapeutic targets
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