Synthesis and characterization of new 1,3,4-thiadiazole derivatives: study of their antibacterial activity and CT-DNA binding.

Abstract

1,3,4-Thiadiazole molecules (1-4) were synthesized by the reaction of phenylthiosemicarbazide and methoxy cinnamic acid molecules in the presence of phosphorus oxychloride, and characterized with UV, FT-IR, C-NMR, and H-NMR methods. DFT calculations (b3lyp/6-311++G(d,p)) were performed to investigate the structures' geometry and physiochemical properties. Their antibacterial activity was screened for various bacteria strains such as , ATCC 13048, , , , and Gram positive such as ATCC 25923, ATCC 7644, , , ATCC, , , , alfa , and found to have an inhibitory effect on and , while molecules 1, 3 and 4 had an inhibitory effect on and alpha . The experimental results were supported by the docking study using the Kinase ThiM from . All the investigated compounds showed an inhibitory effect for the protein. In addition, the mechanism of the 1-4 molecule interaction with calf thymus-DNA (CT-DNA) was investigated by UV-vis spectroscopic methods.