Spectroscopic and computational study of the interaction of Pt(ii) pyrrole-imine chelates with human serum albumin

Abstract

Spectroscopy, probe ligands, molecular docking, and TD-DFT simulations were used to show that Pt(ii) complexes such as 2 bind noncovalently with modest affinity constants and as intact metal chelates in subdomain IIIA of human serum albumin (HSA).

Multispectroscopic and Theoretical Investigation on the Binding Interaction of a Neurodegenerative Drug, Lobeline with Human Serum Albumin: Perturbation in Protein Conformation and Hydrophobic–Hydrophilic Surface

“…The fluorophore’s average lifetime without LOB is denoted as “τ 0 ” which we have determined using a fluorescence lifetime experiment (5.9 ns for HSA). The quenching process is governed by examining how the fluorescence of the HSA-LOB complex changes across different temperatures Figure S1a shows the Stern–Volmer plots for the fluorescence emission quenching of HSA-LOB at a range of temperatures (298.15–308.15 K).…”

“…This structure is formed from 585 amino acids, resulting in a molar mass of 66.5 kDa. HSA, with an average half-life of 19 days, is predominantly synthesized in the liver and serves as the main serum protein in the bloodstream, with concentrations spanning from 35 to 50 g/L. , Even with its considerable molecular weight, albumin is not limited to plasma but is also distributed beyond blood vessels. Additionally, the presence of HSA is vital for regulating the blood colloidal osmotic pressure.…”

Spectroscopic and Computational pH Study of NiII and PdII Pyrrole-Imine Chelates with Human Serum Albumin

“…Pyrrole-based compounds have garnered substantial attention in scientific research due to their inherent bioactivity and prominent role in pharmaceutical applications [1,2]. Among these compounds, pyrrole-imine Schiff bases have been shown to have the ability to chelate a wide range of metal ions [3][4][5][6][7][8], including Ni II [9][10][11] and Pd II [12,13], leading to the formation of stable complexes characterized by metal-pyrrolide and metal-imine bonds following the concurrent deprotonation of the pyrrole NH group. Pyrrole compounds serve as essential building blocks in the development of organic pharmaceuticals [14].…”

“…In this study, we synthesized a widely recognized tetradentate bis(pyrrole-imine) ligand, H 2 PrPyrr, along with its isoelectronic (nd 8 ) square-planar chelates of Ni II and Pd II , Molecules 2023, 28, 7466 3 of 29 denoted as M(PrPyrr) (Figure 1a). We employed spectroscopic techniques to investigate the binding interactions of H 2 PrPyrr and M(PrPyrr) with HSA across various pH values, all while ensuring a constant ionic strength.…”

“…Our goal was to assess how the presence of the metal ion influences the uptake of these complexes and to ascertain their preferred binding site(s) at different pH levels. For the first time, we provide comprehensive insights into the binding affinity, thermodynamics, and virtually all aspects of the physical biochemistry influenced by pH level (while maintaining a constant ionic strength) for nd 8 squareplanar chelates binding to HSA. Despite the inherent complexity of the system, our spectroscopic data are corroborated by advanced in silico methods, demonstrating good agreement.…”