SYNTHESIS AND MOLECULAR DOCKING STUDY OF SOME NEW 1,4-PHENYLENE-BISTHIAZOLES AS FUNGAL LANOSTEROL 14α-DEMETHYLASE INHIBITORS

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 alfa-haloesters. 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 14 alpha-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.