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

Abstract

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 <b>B1</b>-<b>B15</b>, which were in vitro assessed for their anti-<i>Candida</i> potential. Compound <b>B10</b> was found to be more potent against <i>Candida</i> 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 <i>Saccharomyces cerevisiae</i>. 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-<i>Candida</i> activity, a docking study and ADMET prediction revealed that the newly synthesized compounds have potential anti-<i>Candida</i> activity and evidenced the most active derivative, <b>B10</b>, which can be further optimized as a lead compound.