Synthesis, spectral characterization, DFT, antimicrobial, cell cycle and molecular docking studies on benzothiazole derivatives and its nano-sized platinum (IV) mixed ligand complex

A novel nano-sized mixed benzothiazole-based tetravalent platinum complex (C) of N'-(benzo[d]thiazol-2-yl)-N,N-dimethylformimidamide (L1) and [N'-(6-fluorobenzo[d]thiazol-2-yl)-N,N-dimethylformimidamide (L2) ] ligand with Pt(IV) ion were prepared using general formula [Pt(L ₁ L ₂ )(H ₂ O) ₂ Cl ₂ ].2Cl.2H ₂ O nano-sized complex (C) . Elemental analysis, fourier transform infrared spectra, ¹ H- and ¹³ C-NMR, electronic spectra, FAB mass spectra, and thermogravimetric analysis were used to determine the structure of the produced complex C . Density functional theory (DFT) calculations were done by molecular studio software to examine the optimal geometry of L1, L2 , and C . The EDX, TEM, and AFM analyses of the studied complex unveils distinct and strong diffraction peaks, indicating its crystalline nature and providing evidence of its nano-sized particle sizes. Additionally, the Agar diffusion assay, MTT assay, gel electrophoresis, and DPPH radical scavenging procedures are used to assess the complex's antibacterial, anticancer, DNA photocleavage, molecular docking, and antioxidant qualities, respectively. According to data from the aforementioned experiments, the complex under investigation has a lot of biological potential and can therefore be employed effectively in the medical field. Furthermore, by inducing apoptosis with the G2/M phase cell cycle, that same complex may greatly decrease the proliferation of HepG2 cells.