Synthesis, characterization, DNA binding, cytotoxicity, and molecular docking approaches of Pd(II) complex with N,O- donor ligands as a novel potent anticancer agent

• Published in: Journal of molecular structure 2020-09, Vol.1215, p.128212, Article 128212
• Main Authors: Aminzadeh, Mohammad, Saeidifar, Maryam, Mansouri-Torshizi, Hassan
• Format: Article
• Language: English
• Subjects: Cytotoxicity; DFT; DNA; Fluorescence; Molecular docking; Pd(II) complex
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2020.128212

A new potent anticancer agent of 2,2′-dipyridylamine8-hydroxyquinolinatopalladium(II) chloride, [Pd(dpa)(8Q)]Cl titled as PDQ, was synthesized by the reactions of Na2PdCl4 with the organic compounds of 2, 2′-dipyridylamine (D) and 8-hydroxyquinoline (Q). Also, the prepared complex was characterized by elemental analyses, FTIR, NMR spectroscopies and conductivity measurements. The characterization results were found in consistent with the proposed structure of PDQ and DFT methodology confirmed the experimental results. The cytotoxicity evaluation of complex against human chronic myelogenous leukemia (K562) cancer cells demonstrated that the CC50 value of PDQ (22 μM) was comparable with carboplatin and better than some palladium complexes, which were reported as potential anticancer agents. Moreover, PDQ-DNA binding properties were extensively performed by UV–vis, fluorescence, CD spectroscopies and viscosity measurement in physiological condition. Molecular docking technique was performed to provide more insights on binding mode. Overall, all evidence revealed that, PDQ spontaneously binds to DNA with intercalation mode and static mechanism. •A new watersoluble palladium(II) complex was synthesized and characterized.•DFT calculations results have a good confirmation with experimental results.•PDQ-DNA binding were extensively investigated in physiological condition.•Biological evaluation of PDQ on K562 indicated its potential as antitumor agent.