Theoretical and Experimental In-vitro Studies of Novel Thiophene Based Organotellurium(IV) Complexes.

Abstract

Schiff bases are one of the important classes of organic compounds containing imine or azomethine functional groups with potential biological applications in medicinal chemistry. Nowadays, these compounds have attracted the scientific community's attention due to their ability to act as ligands in the formation of stable metal complexes with significant biological activity. In this connection, we have designed and synthesized six novel thiophene-based organoltellurium (IV) complexes using a novel N-((5-methylthiophen-2-yl) methylene)-2-nitroaniline (5MTCONA) schiff base. These complexes underwent analytical investigation (TGA, Powder XRD, SEM, EDAX) as well as spectral analysis (FT-IR, NMR, Mass spectrometry, UV-Vis). The in-vitro pharmacological evaluation of these compounds has been carried out as antimicrobial and antioxidant agents. To further corroborate our findings, we have implemented computational analyses (Semi empirical PM3 method, Molecular Docking, and ADMET) of all the compounds with Spartan-14, Hex-8.0., Swiss ADME software. Precisely, our study integrates experimental and theoretical aspects, offering innovative insights in the field of pharmaceutical sciences.