期刊
STEROIDS
卷 101, 期 -, 页码 43-50出版社
ELSEVIER SCIENCE INC
DOI: 10.1016/j.steroids.2015.05.011
关键词
CYP17 hydroxylase enzyme; Molecular docking study; Pregnenolone; QSAR; Suzuki Miyaura cross-coupling reaction
A new class of steroids is being synthesized for its ability to prevent intratumoral androgen production by inhibiting the activity of CYP17 hydroxylase enzyme. The scheme involved the synthesis of chalcone derivative of pregnenolone 5 which was further modified to the corresponding biaryl-chalcone pregnenolone analogs 16-25 using Suzuki-Miyaura cross-coupling reaction. The synthesized compounds were tested for activity using human CYP17 alpha hydroxylase expressed in Escherichia coli. Compounds 21 was the most active inhibitor in this series, with IC50 values of 0.61 mu M and selectivity profile of 88.7% inhibition of hydroxylase enzyme. Molecular docking study of 21 was performed and showed the hydrogen bonds and hydrophobic interaction with the amino acid residues of the active site of CYP17. (C) 2015 Elsevier Inc. All rights reserved.
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