X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis

Aldo-keto reductase 1C3 (AKR1C3) catalyzes the reduction of androstenedione to testosterone and reduces the effectiveness of chemotherapeutics. AKR1C3 is a target for treatment of breast and prostate cancer and AKR1C3 inhibition could be an effective adjuvant therapy in the context of leukemia and o...

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Veröffentlicht in:	MedChemComm 2023-02, Vol.14 (2), p.341-355
Hauptverfasser:	Marinovi, Maja A, Beki, Sofija S, Kugler, Michael, Brynda, Ji í, Škerlová, Jana, Škori, Dušan, ezá ová, Pavlína, Petri, Edward T, eli, Andjelka S
Format:	Artikel
Sprache:	eng
Schlagworte:	Acids Androgen receptors Androstenedione Bile Bile acids Breast cancer Crystallography Estrogen receptors Estrogens Fluorescence Inhibitors Leukemia Molecular docking Prostate cancer Receptors Reductases Steroids Structural analysis Testosterone Tetrazoles Tryptophan X-ray crystallography Xenoestrogens Yeasts
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