DESIGN AND SYNTHESIS OF SOME NOVEL 1,2,4-TRIAZOLE-3-YLMERCAPTO DERIVATIVES AS POTENTIAL ANTI-CANDIDA AGENTS
ANDREEA-IULIA PRICOPIE 1, LAURIAN VLASE 2, ADRIAN PÎRNĂU 3, DAN CRISTIAN VODNAR 4, GABRIEL MARC 1, CRISTINA NASTASĂ 1, ANCA-MARIA BORCEA 1*, IOANA IONUŢ 1, BRÎNDUȘA TIPERCIUC 1, OVIDIU ONIGA 1
1Department of Pharmaceutical Chemistry, “Iuliu Haţieganu” University of Medicine and Pharmacy, 41 Victor Babeș Street,
400012, Cluj-Napoca, Romania
2Department of Pharmaceutical Technology and Biopharmaceutics, “Iuliu Haţieganu” University of Medicine and Pharmacy,
41 Victor Babeș Street, 400012, Cluj-Napoca, Romania
3National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donath Street, 400293,
Cluj-Napoca, Romania
4Department of Food Science and Technology, University of Agricultural Sciences and Veterinary Medicine, 3-5 Mănăștur
Street, 400372, Cluj-Napoca, Romania
*corresponding author: borcea.anca@umfcluj.ro
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Abstract:
In the context of the alarming incidence of the multidrug-resistant Candida sp. based infections, a new series of 1,2,4-
triazole-3-yl-mercapto derivatives were synthesized and evaluated as potential antifungal agents. The affinity of the
synthesized compounds towards the catalytic site of the lanosterol 14α-demethylase (CYP51) was evaluated in silico, by
molecular docking studies. The antifungal activity of the titled compounds was evaluated in vitro against pathogenic strains
of Candida sp., by measuring the minimum inhibitory concentration (MIC) and the minimum fungicidal concentration
(MFC). The data obtained from the docking simulation showed that the new synthesized compounds might act as noncovalent
inhibitors of fungal CYP51. The results of the in vitro antifungal screening support their potential anti-Candida
activity, compound 3b exhibiting a similar effect as fluconazole, used as antifungal reference drug.

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