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Molecules 2017, 22(12), 2217;

Three-Dimensional Analysis of the Interactions between hLDH5 and Its Inhibitors

Department of Biotechnology, Chemistry and Pharmacy, University of Siena, 53100 Siena, Italy
Department of Pharmacy, University of Pisa, 56126 Pisa, Italy
Department of Chemistry, University of Badji Mokhtar, Sidi Amar-Annaba-B.P. 12, Annaba 23000, Algeria
Author to whom correspondence should be addressed.
Received: 17 November 2017 / Revised: 10 December 2017 / Accepted: 12 December 2017 / Published: 13 December 2017
(This article belongs to the Special Issue Medicinal Chemistry in Europe)
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Inhibitors of human lactate dehydrogenase (hLDH5)—the enzyme responsible for the conversion of pyruvate to lactate coupled with oxidation of NADH to NAD+—are promising therapeutic agents against cancer because this enzyme is generally found to be overexpressed in most invasive cancer cells and is linked to their vitality especially under hypoxic conditions. Consequently, significant efforts have been made for the identification of small-molecule hLDH5 inhibitors displaying high inhibitory potencies. X-ray structure of hLDH5 complexes as well as molecular modeling studies contribute to identify and explain the main binding modes of hLDH5 inhibitors reported in literature. The purpose of this review is to analyze the main three-dimensional interactions between some of the most potent inhibitors and hLDH5, in order to provide useful suggestions for the design of new derivatives. View Full-Text
Keywords: LDH5; molecular modeling; ligand–protein interactions; LDH5 inhibitors LDH5; molecular modeling; ligand–protein interactions; LDH5 inhibitors

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Poli, G.; Granchi, C.; Aissaoui, M.; Minutolo, F.; Tuccinardi, T. Three-Dimensional Analysis of the Interactions between hLDH5 and Its Inhibitors. Molecules 2017, 22, 2217.

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