SYNTHESIS AND MOLECULAR DOCKING STUDY OF SOME NEW
1,4-PHENYLENE-BISTHIAZOLES AS FUNGAL LANOSTEROL 14α-
DEMETHYLASE INHIBITORS
ANCA-MARIA BORCEA1*, GABRIEL MARC1, ADRIAN PÎRNĂU2, LAURIAN VLASE1, IOANA IONUŢ1, BRÎNDUŞA TIPERCIUC1, OVIDIU ONIGA1
1“Iuliu Haţieganu” University of Medicine and Pharmacy, Faculty of Pharmacy, 41 Victor Babeş Street, 400012, Cluj-
Napoca, Romania
2National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donath Street, 400293,
Cluj-Napoca, Romania
*corresponding author: borcea.anca@umfcluj.ro
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Abstract:
The present work reports the synthesis, physico-chemical, spectral characterization and molecular docking study of a novel
series of 1,4-phenylene-bisthiazoles. The newly synthesized 1,4-phenylene-bisthiazole derivatives were obtained with good
yields through a Hantzsch condensation reaction between the thioamide intermediate and various alfa-haloketones or alfahaloesters.
The proposed structure of the compounds was confirmed by quantitative elemental analysis and spectral data:
mass spectrometry and proton nuclear magnetic resonance. A molecular docking study was performed in order to investigate
the potential binding affinity of the synthesized compounds towards the fungal lanosterol 14α-demethylase. The results of the
molecular docking study showed that these compounds have potential antifungal activity and could be considered for further
in vitro biological evaluation.

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