Dattatraya S. Kale

Design, Synthesis, Antimicrobial Evaluation, DFT Analysis, Molecular Docking and Molecular Dynamics Studies of Thiadiazol–Hydrazine Derivatives as Potential Dihydrofolate Reductase Inhibitors

The integrated experimental and computational results identified compound 3b as the most promising member of the present series, particularly with respect to antibacterial activity, while the comparatively limited antifungal activity indicates the need for further structural optimization.