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Int. J. Mol. Sci. 2014, 15(5), 8795-8807; doi:10.3390/ijms15058795

Biological Evaluation and 3D-QSAR Studies of Curcumin Analogues as Aldehyde Dehydrogenase 1 Inhibitors

1
School of Light Industry and Chemical Engineering, Guangdong University of Technology, Guangzhou 510500, China
2
Guangzhou Improve Medical Technology Co., Ltd., Guangzhou 510530, China
3
Susan Lehman Cullman Laboratory for Cancer Research Ernest Mario School of Pharmacy, Rutgers, the State University of New Jersey, Piscataway, NJ 08854, USA
*
Author to whom correspondence should be addressed.
Received: 4 January 2014 / Revised: 13 March 2014 / Accepted: 24 March 2014 / Published: 16 May 2014
(This article belongs to the Section Physical Chemistry, Theoretical and Computational Chemistry)
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Abstract

Aldehyde dehydrogenase 1 (ALDH1) is reported as a biomarker for identifying some cancer stem cells, and down-regulation or inhibition of the enzyme can be effective in anti-drug resistance and a potent therapeutic for some tumours. In this paper, the inhibitory activity, mechanism mode, molecular docking and 3D-QSAR (three-dimensional quantitative structure activity relationship) of curcumin analogues (CAs) against ALDH1 were studied. Results demonstrated that curcumin and CAs possessed potent inhibitory activity against ALDH1, and the CAs compound with ortho di-hydroxyl groups showed the most potent inhibitory activity. This study indicates that CAs may represent a new class of ALDH1 inhibitor. View Full-Text
Keywords: curcumin; curcumin analogues; ALDH1; inhibitor; 3D-QSAR curcumin; curcumin analogues; ALDH1; inhibitor; 3D-QSAR
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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MDPI and ACS Style

Wang, H.; Du, Z.; Zhang, C.; Tang, Z.; He, Y.; Zhang, Q.; Zhao, J.; Zheng, X. Biological Evaluation and 3D-QSAR Studies of Curcumin Analogues as Aldehyde Dehydrogenase 1 Inhibitors. Int. J. Mol. Sci. 2014, 15, 8795-8807.

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