DNA and bovine serum albumin protein (BSA) interaction of antitumor supramolecular nickel(II) complex: Inference for drug design

• Published in: Journal of industrial and engineering chemistry (Seoul, Korea) 2024, 140(0), , pp.225-236
• Main Authors: Taheri, Sahar, Asadi, Zahra, Mohebbi Jahromi, Zahra, Kucerakova, Monika, Dusek, Michal, Rastegari, Banafsheh
• Format: Article
• Language: English
• Subjects: Anticancer property; DNA cleavage; FS-DNA/ Bovine Serum Albumin (BSA) interaction; Ni (II) Schiff base; Self-assemble; Supramolecular; 화학공학
• ISSN: 1226-086X; 1876-794X
• DOI: 10.1016/j.jiec.2024.05.042

[Display omitted] •Supramolecular nickel(II) Schiff base self-assemble complex was synthesized & characterized.•The complex interaction with DNA and BSA was studied experimentally and theoretically.•The complex exhibited high anticancer activity against the gastric & prostate cancer cells. To explore the therapeutic potential of supramolecular nickel(II) Schiff base self-assemble complexes, the Schiff base ligand (N, N′-bis(salicylidene)-1,3-diamino-2-propanol) and its Ni(II) complex [Ni2(H2L)2(NCS)2(CH3OH)2](CH3OH)2 were synthesized. Characterization by X-ray crystallography (for the complex), FT-IR, UV–Vis spectroscopy, 1HNMR and elemental analysis (CHN) were performed. Single-crystal X-ray structure of the complex exhibited a distorted octahedral geometry in which each nickel(II) center, in the asymmetric unit, was six coordinated with three N atoms and three O atoms (from Schiff base ligand, methanol and NCS). In vitro Fish Sperm DNA (FS-DNA) and Bovine Serum Albumin (BSA) binding studies of the complex employed UV–Vis and fluorescence spectroscopy, cyclic voltammetry, viscosity measurement and molecular docking. The complex indicated a good binding propensity to BSA and was also bound to FS-DNA, preferably via intercalation. The outputs of the molecular docking study confirmed the experimental results. The complex was found to exert high anticancer activity against the gastric and prostate cancerous cells with putative selective anticancer properties. The death-induced mechanism underlying the complex is mainly related to the intercalator interactions, which may result in apoptosis-programmed cell death.