Pharmacological investigation of 2-aminobenzothiazolium-4-methylbenzenesulphonate: Synthesis, spectral characterization and structural elucidation

•Molecular structure of the complex was elucidated by single crystal X-ray diffraction study.•The complex showed good antimicrobial activity.•The complex interacts with CT-DNA, through intercalatively.•The complex can efficiently cleave the pBR322 DNA.•The complex possesses valuable antioxidant property against DPPH, OH and ABTS radicals.

An organic charge transfer complex, 2-aminobenzothiazolium-4-methylbenzenesulphonate (ABPTS) was synthesized and single crystals grown by slow solvent evaporation solution growth technique at ambient temperature. The single crystal X-ray diffraction analysis was carried out to establish the molecular structure of the title crystal. FT-IR spectral study was carried out to identify the various functional groups present in the crystal. The 1H and 13C spectra were recorded to further confirm the molecular structure of the CT complex. The TG/DTA analyses were carried out to establish the thermal stability of the complex. The antibacterial and antifungal activities of synthesized complex were examined against various bacteria and fungi strains, to identify the antibacterial and antifungal activity. The DNA binding profile of the complex has been investigated through absorption spectroscopy and complex has intrinsic binding constant 3.6 × 104 M−1. A gel electrophoresis assay demonstrated the ability of the complex to cleave the pBR322 DNA. The free radical scavenging activity of the complex has been determined against DPPH, OH and ABTS radicals.

Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide