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

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 do...

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Detalles Bibliográficos
Autores principales: Wang, Hui, Du, Zhiyun, Zhang, Changyuan, Tang, Zhikai, He, Yan, Zhang, Qiuyan, Zhao, Jun, Zheng, Xi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4057759/
https://www.ncbi.nlm.nih.gov/pubmed/24840575
http://dx.doi.org/10.3390/ijms15058795
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author Wang, Hui
Du, Zhiyun
Zhang, Changyuan
Tang, Zhikai
He, Yan
Zhang, Qiuyan
Zhao, Jun
Zheng, Xi
author_facet Wang, Hui
Du, Zhiyun
Zhang, Changyuan
Tang, Zhikai
He, Yan
Zhang, Qiuyan
Zhao, Jun
Zheng, Xi
author_sort Wang, Hui
collection PubMed
description 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.
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spelling pubmed-40577592014-06-16 Biological Evaluation and 3D-QSAR Studies of Curcumin Analogues as Aldehyde Dehydrogenase 1 Inhibitors Wang, Hui Du, Zhiyun Zhang, Changyuan Tang, Zhikai He, Yan Zhang, Qiuyan Zhao, Jun Zheng, Xi Int J Mol Sci Article 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. Molecular Diversity Preservation International (MDPI) 2014-05-16 /pmc/articles/PMC4057759/ /pubmed/24840575 http://dx.doi.org/10.3390/ijms15058795 Text en © 2014 by the authors; licensee MDPI, Basel, Switzerland http://creativecommons.org/licenses/by/3.0/ This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).
spellingShingle Article
Wang, Hui
Du, Zhiyun
Zhang, Changyuan
Tang, Zhikai
He, Yan
Zhang, Qiuyan
Zhao, Jun
Zheng, Xi
Biological Evaluation and 3D-QSAR Studies of Curcumin Analogues as Aldehyde Dehydrogenase 1 Inhibitors
title Biological Evaluation and 3D-QSAR Studies of Curcumin Analogues as Aldehyde Dehydrogenase 1 Inhibitors
title_full Biological Evaluation and 3D-QSAR Studies of Curcumin Analogues as Aldehyde Dehydrogenase 1 Inhibitors
title_fullStr Biological Evaluation and 3D-QSAR Studies of Curcumin Analogues as Aldehyde Dehydrogenase 1 Inhibitors
title_full_unstemmed Biological Evaluation and 3D-QSAR Studies of Curcumin Analogues as Aldehyde Dehydrogenase 1 Inhibitors
title_short Biological Evaluation and 3D-QSAR Studies of Curcumin Analogues as Aldehyde Dehydrogenase 1 Inhibitors
title_sort biological evaluation and 3d-qsar studies of curcumin analogues as aldehyde dehydrogenase 1 inhibitors
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4057759/
https://www.ncbi.nlm.nih.gov/pubmed/24840575
http://dx.doi.org/10.3390/ijms15058795
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