Structural features, anticancer, antioxidant and anti-acetylcholinesterase studies of [(DTCs)(PAr3)PdCl]

Four new [(DTCs)(PAr3)PdCl] complexes have been synthesized, where DTCs = sodium 4-diphenylmethylpiperazine-1-carbodithioate(1), sodium4-(3-methoxyphenyl)piperazine-1-carbodithioate (2), sodium4-(2-pyrimidyl)piperazine-1-carbodithioate (3, 4); ArR3 = diphenyl-p-tolylphosphine (1, 2), 1,4-bis(diphenylphosphino) butane (3). These complexes have been characterized by CHNS analysis, FT-IR, NMR {H-1, C-13 and P-31}, and X-ray crystallography (for complex 1 and 2). Single crystal analysis revealed that the Pd is chelated by dithiocarbamate ligand forming a four-membered chelate ring, whereas PAr3 and Cl are coordinated in monodentate fashion. The Hirshfeld Surface and Fingerprint analysis have been used to investigate the intermolecular interactions and molecular shape of crystal structures (1&2), respectively. The anticancer activities of (1-4) were evaluated using Staurosporine as a standard against various human cancer cell lines, i.e. LU, MCF7, Hepa-IcIc-7, PC-3, and MDA-MB-231. The compound 3 was found to be the most active against the tested cancer cell lines with IC50 values of 0.9 +/- 0.2-18.3-3.0 mu M owing to its cationic nature that facilitates safe carriage thus causing electrostatic interaction with the negatively charged DNA. The highest antioxidant activity is shown by compound 3 against DPPH used as a free radical. Furthermore, all the complexes (1-4) caused a mixed type of inhibition against acetylcholinesterase. Thus, these compounds represent a class of potential therapeutic agents and can be used for the treatment of Alzheimer's disease.

Automated summary

Four new complexes [(DTCs)(PAr3)PdCl] were synthesized and characterized, with complex 3 showing the most potent anticancer activity and antioxidant activity against various human cancer cell lines and DPPH, respectively. All complexes exhibited a mixed type of inhibition against acetylcholinesterase, indicating their potential therapeutic use for Alzheimer's disease.