Design, structural characterization, DFT, molecular docking, and chemotherapeutic activity of novel platinum(II) and palladium(II) complexes derived from Metformin-based Schiff base

Abstract

Two novel bidentate Schiff bases ligands derived from Metformin with aldehydic molecules, including o-Ethoxy benzaldehyde (L1) and thiophene-2-carbaldehyde (L2) and Pt(II) and Pd(II) complexes were prepared. Numerous techniques were used to study the ligands and their metal complexes, including mass spectroscopy, IR, UV–Vis, molar conductivity, magnetic moment measurement, 1HNMR, PXRD, and 13CNMR. The preceding two Schiff bases were coordinated to Pd (II) and Pt (II) in the molar ratio of (1:1) (M:L) with the molecular structure [MLCl2]. The chemical quantum characteristics were calculated, and Schiff bases' optimized geometric structures and their complexes were revised theoretically. The MCF-7 breast cancer model was used to test the anticancer effects of metformin Schiff bases and their complexes in vitro. Additionally, using the EGFR tyrosine kinase of the selected proteins, a molecular docking study was carried out to learn more about the docking active site interactions. Ultimately, the conventional DPPH method was used to assess the antioxidant activity of the free ligands and their metal chelates. Pt (II) complexes demonstrated greater free radical scavenging activity than ascorbic acid. Furthermore, Pt (II) complexes showed more effective interactions with the selected mTOR protein, which is assumed to help the COVID-19 virus proliferate. Thus, Pt (II) has a bright future in the realm of chemotherapy.