Romanian Society of Pharmaceutical Sciences

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THIAZOLYL-OXADIAZOLE DERIVATIVES TARGETING LANOSTEROL 14α-DEMETHYLASE AS POTENTIAL ANTIFUNGAL AGENTS: DESIGN, SYNTHESIS AND MOLECULAR DOCKING STUDIES

CRISTINA IOANA STOICA1*, GABRIEL MARC1, ADRIAN PÎRNĂU2, LAURIAN VLASE1, CĂTĂLIN ARANICIU1, SMARANDA ONIGA1, MARIANA PALAGE1, OVIDIU ONIGA1

1.”Iuliu Haţieganu” University of Medicine and Pharmacy, Faculty of Pharmacy, 12 Ion Creangă Str., RO-400010, Cluj-Napoca, Romania
2.National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath Str., RO-400293, Cluj-Napoca, Romania

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A series of novel thiazolyl-oxadiazole derivatives were synthesized by oxidative cyclization or dehydrative cyclization. The compounds were characterised using quantitative elemental analysis, 1H NMR, 13C NMR and mass spectrometry. Since lanosterol 14α-demethylase is an attractive target in the design of antifungal agents, we used this enzyme in molecular docking trials with all synthesized compounds. By this means, we explored the interactions and identified structural elements that could increase their activity in order to develop new antifungal agents that specifically target this enzyme.