Design, synthesis, characterization and biological screening of novel thiosemicarbazones and their derivatives with potent antibacterial and antidiabetic activities

Thiosemicarbazones and their derivatives were synthesized by reacting carbonyl compounds with thiosemicarbazide, followed by treatment with metal salts. The prepared thisemicarbazones such as (2E)-2-[(1,5,7trichloronaphthalen-2-yl)-methylidene]-hydrazine-1-carbothioamide,(2E)-2-[(1,5,7-trihydroxynaphthalen-2-yl)methylidene]hydrazine-1-carbothioamide and these were characterized by using diverse spectral techniques, such as UV-Vis and FT-IR. The synthesized compounds were subsequently evaluated for their antibacterial properties against Gram(+) Bacillus subtilis and Gram(-) Escherichia coli, using ciprofloxacin as a reference, as well as for their anti-microbial activities. For the evaluation of anti-diabetic activity, Acarbose served as the reference. Molecular docking results indicated that WS-1 and WS-2 exhibited superior performance against Alphaglucosidase proteins, evidenced by their lowest binding energies (-8.1 and -8.3 kcal/mol) respectively compared to other ligands. These findings suggest that WS-1 and WS-2 are promising candidates for further research and development by pharmaceutical companies to explore additional biological activities.