Synthesis, Spectroscopic Characterization, Antimicrobial Investigation, Docking and Computational Studies of New Tin (IV) Schiff Base Complexes

Reaction of Organotin (IV) salts with tridentate Schiff bases (SBI and SBII) reacted in 1:1 M ratios where complexes (1-6) were afforded. Organotin (IV) complexes with the formula [Sn (CH3)2(SBI)ClH2O]Cl (1), [Sn(C4H9)2(SBI)Cl2]H2O (2), [Sn(C6H5)4(SBI)] (3), [Sn (CH3)2(SBII)Cl2]3H2O (4), [Sn(C4H9)2(SBII)Cl2]2H2O (5) and [Sn(C6H5)4(SBII)]H2O (6) (SBI = 2(E)-2-(((3-hydroxyphenyl)imino)methyl)phenol and SBII = (E)-2-(((3-aminophenyl)imino)-methyl)phenol were described. Every Tin (IV) complex (1-6) had a distinct color and was soluble in DMF and DMSO organic solvents. The complexes have all been thoroughly examined using mass spectrum analysis, FT-IR, UV-vis, 1H-NMR, and CHN investigations. For both SBI and SBII, the Schiff bases chelated to the tin metal ion in a tridentate fashion through NOO and NNO atoms, including nitrogen atoms of the azomethine group. This was demonstrated by the spectroscopic data of the ligand and its related complexes (1-6). The tin atom was found to have pentagonal-bipyramidal geometry according to elemental analyses data coupled with electronic spectral data. The complexes were nonelectrolytes except Complex 1 is electrolyte. The complexes (1-6) thermal deterioration occurred between 200 degrees C and 800 degrees C, according to thermogravimetric analysis performed during thermal decomposition under nitrogen. The in vitro tests measured the efficacy of the Schiff base Tin (IV) complexes (1-6) to inhibit the growth of several types of bacteria and fungi. When compared to the Schiff bases ligand, it was shown that the complexes were more successful in killing bacteria and fungi organisms. In order to interpret the compounds' structure and reactivity, density functional calculations were done. Molecular docking by the protein locations of 2V5Z and 7KGW was utilized to evaluate possible medicines using MOE 2008. Without verifying results with MD simulations, the work was designed to explore molecular docking.