Synthesis, characterization, computational simulation, biological and anticancer evaluation of Pd(II), Pt(II), Zn(II), Cd(II), and Hg(II) complexes with 2‐amino‐4‐phenyl‐5‐selenocyanatothiazol ligand

Abstract

New Pd(II), Pt(II), Zn(II), Cd(II), and Hg(II) complexes were synthesized from the reaction of 4‐phenyl‐5‐selenocyanatothiazol‐2‐amine (PhSeCNH) with metal chlorides. The produced compounds were characterized by various spectroscopic techniques. The Material Studio program was used to propose the best fit atomic skeletons for the isolated solid compounds by applying density functional theory. Quantum chemical parameters were determined from such modeling. Also, the synthesized complexes were screened for their cytotoxicity in breast adenocarcinoma (MCF‐7) and human cervical (HeLa) cell lines. Furthermore, the bactericidal activity of the investigated compounds was also evaluated against Staphylococcus aureus as a Gram‐positive bacteria as well as Pseudomonas aeruginosa and Escherichia coli as Gram‐negative bacteria.

Metal-based compounds containing selenium: An appealing approach towards novel therapeutic drugs with anticancer and antimicrobial effects

“…On the other hand, the Pd(II) and Pt(II) metal complexes bearing a 2-amino-4-phenyl-5-selenocyanatothiazol moiety (10-11 in Fig. 1) showed not only antiproliferative activity, but also demonstrated significant antibacterial activity against pathogenic bacteria compared to the free ligand [89]. Likewise, the Pt(IV) complexes derived from adipic and sebacic acids (44-45 in Fig.…”

“…Interestingly, in a series of metal coordination complexes synthesized with the ligand 2-amino-4-phenyl-5-selenocyanatothiazol, the compounds with Pd(II) or Pt(II) centers (10-11 in Fig. 1) were able to reduce the viability of cancer cells with impressive IC 50 values in the submicromolar range between 0.02 and 0.35 μM, showing the highest antiproliferative activity among the other metal complexes [89]. In another study, the reaction of amine-capped Pd(II) and Pt(II) compounds with 4,4 ′ -dipyridylselenide/diselenide yielded water-soluble macrocyclic complexes that were tested for their antiproliferative activity.…”

A Competition between Hydrogen, Stacking, and Halogen Bonding in N-(4-((3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)selanyl)phenyl)acetamide: Structure, Hirshfeld Surface Analysis, 3D Energy Framework Approach, and DFT Calculation

“…Recently, we and others reported several organoselenium candidates with GPx-like and antioxidant activity even better than ebselen [ 40 , 42 , 45 , 46 , 47 , 48 ]. Among them, compounds containing quinone and Se motifs manifested considerable success due to their chemoprevention of carcinogenesis [ 38 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 ]. Within this context, our group reported selenoquinones ( V and VI ) with interesting cytotoxicity at low micromolar concentrations against different cancer types, such as breast adenocarcinoma (MCF-7), human epidermoid carcinoma, hepatocellular carcinoma (HepG2), and human kidney carcinoma cells.…”