Chromium‐metformin ternary complexes: Thermal, DNA interaction and Docking studies

Abstract

Three chromium ternary complexes with metformin (met) as a primary ligand and bipyridine (bipy) or ortho‐phenylenediamine (opda) or ortho‐phenanthroline (phen) as secondary ligand were synthesized. These complexes [Cr (Cl)2(Hmet)(bipy)]‐(1), [Cr (Cl)2(Hmet)(opda)]‐(2) and [Cr (Cl)2(Hmet)(phen)]‐(3) were characterized by LC–MS, elemental analysis, molar conductance, thermal analysis, infrared spectroscopy, electronic spectroscopy. The geometrical structures have been found to be octahedral. Degradation pattern of the compounds is shown by thermal studies. The Kinetic parameters‐ energy of activation (Ea), enthalpy (ΔH), entropy (ΔS) and free energy changes (ΔG) have been determined by thermogravimetric data. Coats‐Redfern integration method with thirteen kinetic models was used to calculate the kinetic and thermodynamic parameters for the degradation of all the complexes. The stabilities of the complexes were obtained from their molecular orbital structures from which the quantum chemical parameters were calculated using the HOMO‐LUMO energies. UV–Visible absorption, fluorescence, and viscosity measurements have been conducted to assess the interaction of the complexes with CT DNA. The complexes showed absorption hyperchromism in its UV–Vis spectrum with DNA. The binding constants Kb from UV–Vis absorption studies were 3.1x104, 4.4x104, 5x104 M−1 for 1, 2, 3 respectively and Stern–Volmer quenching constants (Ksq) from fluorescence studies were 0.137, 0.532, 0.631 for 1, 2, 3 respectively. Finally, viscosity measurements revealed that the binding of the complexes with CT‐DNA could be surface binding, mainly due to groove binding. The activity of complexes towards DNA cleavage decrease in the order of 3 > 2 > 1.The light switching properties of the complexes were also evaluated. The complexes were docked in to B‐DNA sequence, 5′(D*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)‐3′ retrieved from protein data bank (PDB ID: 423D), using Discovery Studio 2.1 software.

A new heterotrimetallic sandwich‐like CuII–LaIII–CuII (3d–4f–3d) cluster as a model anticancer drug in interaction with FS‐DNA and BSA and as a new artificial catalyst for catecholase activity

“…On the other hand, the electrostatic or groove binding has a slight effect on the viscosity of DNA. [ 64 ] In this study, plots of (η/η 0 ) 1/3 versus [complex]/[DNA] were drawn, in which η is the viscosity of DNA in the presence of complex and η 0 is the viscosity of free DNA. Figure S3 compares the changes in the viscosity of DNA by adding the complex and adding EtBr as control.…”

Probing the biomolecular (DNA/BSA) interaction by new Pd(II) complex via in-depth experimental and computational perspectives: synthesis, characterization, cytotoxicity, and DFT approach

“…Additional descriptors including absolute electronegativity (χ), absolute hardness (η), absolute softness (σ), chemical potential (Pi), global electrophilicity (ω), and additional electronic charge (ΔN max ) are evaluated utilizing Eqs. (3-8) [55][56][57] and their relevant values are collected in Table 1.…”

Novel metformin complexes: Geometry optimization, non‐isothermal kinetic parameters, DNA binding, on–off light switching and docking studies

“…[28] We pursued our exploration in our research and published several studies on metformin complexes in light of the applications presented in the literature. [29][30][31][32][33][34] Given the biological relevance of chromium(III) complexes, the present investigation focuses on the synthesis of ternary chromium(III) metformin complexes (III). Various spectroanalytical methods were used to evaluate structural aspects, and DNA interactions were explored in vitro employing absorption and emission techniques.…”