Some sulfonamide drugs inhibit ATPase activity of heat shock protein 90: investigation by docking simulation and experimental validation

被引：8

作者：

Abu Sheikha, Ghassan ^{[2
]}

Al-Sha'er, Mahmoud A. ^{[3
]}

Taha, Mutasem O. ^{[1
]}

机构：

[1] Univ Jordan, Fac Pharm, Drug Discovery Unit, Amman 11942, Jordan

[2] Al Zaytoonah Private Univ Jordan, Fac Pharm, Dept Pharmaceut Sci, Amman, Jordan

[3] Zarqa Private Univ, Fac Pharm, Zarqa, Jordan

来源：

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY | 2011年 / 26卷 / 05期

关键词：

Hsp90; alpha; sulfonamides; docking; pK(a); LIGAND INTERACTIONS; HSP90; INHIBITORS; PHASE-I; MOLECULAR CHAPERONE; SCORING FUNCTION; TARGETING HSP90; SIGNALING PATHWAYS; ANTICANCER AGENT; CANCER; HEAT-SHOCK-PROTEIN-90;

D O I：

10.3109/14756366.2010.541394

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Eight selected sulfonamide drugs were investigated as inhibitors of heat shock protein 90 (Hsp90). The investigation included simulated docking experiments to fit the selected compounds within the binding pocket of Hsp90. The selected molecules were found to readily fit within the ATP-binding pocket of Hsp90 in low-energy poses. The sulfonamides torsemide, sulfathiazole, and sulfadiazine were found to inhibit the ATPase activity of Hsp90 with IC50 values of 1.0, 2.6, and 1.5 mu M, respectively. Our results suggest that these well-established sulfonamides can be good leads for subsequent optimization into potent Hsp90 inhibitors.

引用

页码：603 / 609

页数：7

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