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Molecules 2016, 21(11), 1595;

New Thiazolyl-triazole Schiff Bases: Synthesis and Evaluation of the Anti-Candida Potential

Department of Pharmaceutical Chemistry, “Iuliu Hațieganu” University of Medicine and Pharmacy, 41 Victor Babeș Street, RO-400012 Cluj-Napoca, Romania
Department of Food Science, University of Agricultural Sciences and Veterinary Medicine, 3-5 Mănăștur Street, RO-400372 Cluj-Napoca, Romania
Department of Pharmacognosy, “Iuliu Hațieganu” University of Medicine and Pharmacy, 12 Ion Creangă Street, RO-400010 Cluj-Napoca, Romania
Department of Physiology, “Iuliu Hațieganu” University of Medicine and Pharmacy, 1 Clinicilor Street, RO-400006 Cluj-Napoca, Romania
Author to whom correspondence should be addressed.
Academic Editor: Panayiotis A. Koutentis
Received: 31 October 2016 / Revised: 14 November 2016 / Accepted: 17 November 2016 / Published: 22 November 2016
(This article belongs to the Special Issue Sulfur-Nitrogen Heteroaromatics)
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In the context of the dangerous phenomenon of fungal resistance to the available therapies, we present here the chemical synthesis of a new series of thiazolyl-triazole Schiff bases B1B15, which were in vitro assessed for their anti-Candida potential. Compound B10 was found to be more potent against Candida spp. when compared with the reference drugs Fluconazole and Ketoconazole. A docking study of the newly synthesized Schiff bases was performed, and results showed good binding affinity in the active site of co-crystallized Itraconazole-lanosterol 14α-demethylase isolated from Saccharomyces cerevisiae. An in silico ADMET (absorption, distribution, metabolism, excretion, toxicity) study was done in order to predict some pharmacokinetic and pharmacotoxicological properties. The Schiff bases showed good drug-like properties. The results of in vitro anti-Candida activity, a docking study and ADMET prediction revealed that the newly synthesized compounds have potential anti-Candida activity and evidenced the most active derivative, B10, which can be further optimized as a lead compound. View Full-Text
Keywords: Schiff base; triazole; fungicidal activity; docking; ADME Schiff base; triazole; fungicidal activity; docking; ADME

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Stana, A.; Enache, A.; Vodnar, D.C.; Nastasă, C.; Benedec, D.; Ionuț, I.; Login, C.; Marc, G.; Oniga, O.; Tiperciuc, B. New Thiazolyl-triazole Schiff Bases: Synthesis and Evaluation of the Anti-Candida Potential. Molecules 2016, 21, 1595.

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