Synthesis, Antifungal Activity and Molecular Docking Studies on N-(Substituted- benzylidineamine)-3- cycloalkylidine-thiosemicarbazide Derivatives

A series of substituted N-(Benzylidineamine)-3-cycloalkylidine-thiosemicarbazide derivatives have been synthesized, characterized and evaluated for their antifungal and antibacterial activities. The newly synthesized compounds were characterized by IR, NMR, Mass and elemental analysis. All compounds were tested for antifungal and antibacterial activities. The preliminary results revealed that some of the compounds exhibited promising antifungal activities. Among the tested compounds, compound 14 (MIC 8 øg/mL) and 25 (MIC 8 øg/mL) were the most effective against C. Tropicalis. Important SAR information was also gathered. Molecular modeling investigations showed that the active compounds may interact at the active site of the fungal cytochrome P450-dependent sterol 14 demethylase (CYP51) in the sterol biosynthesis pathway.