In vitro biological and in silico molecular docking and ADME studies of a substituted triazine-coordinated cadmium(II) ion: efficient cytotoxicity, apoptosis, genotoxicity, and nuclease-like activity plus binding affinity towards apoptosis-related proteins

Abstract

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Zn(ii) and Cd(ii) pincer complexes bearing meta alkylated pyridinium amidates; synthesis & preliminary anticancer studies

“…The order of cytotoxicity of the complexes with regard to MCF-7 and T47D is C4 > C3 > C2 > [Cd(L o Me )(OAc) 2 ] > C1 > [Zn(L o Me )(OAc) 2 ] Among all complexes, the cadmium complex ( C4 ) revealed higher anticancer activity with the lowest IC 50 value of 21.00 ± 1.41 μM in T47D cells in comparison to 25.10 ± 1.09 μM for cisplatin. 26 This value is in the same range of meta alkylated oxamide-based PYA such as [Pd(L m Bn )](Cl) 2 with an IC 50 of 20.2 ± 0.2 μM in the T47D cell line. 35…”

“…The pro-ligand (H 2 L m Bn (Cl) 2 ) demonstrated its potential to inhibit the proliferation of breast cancer cell lines, namely MCF-7 ] Among all complexes, the cadmium complex (C4) revealed higher anticancer activity with the lowest IC 50 value of 21.00 AE 1.41 mM in T47D cells in comparison to 25.10 AE 1.09 mM for cisplatin. 26 This value is in the same range of meta alkylated oxamide-based PYA such as [Pd(L m Bn )](Cl) 2 with an IC 50 of 20.2 AE 0.2 mM in the T47D cell line. 35…”

“…These values are analogous to DNA partial intercalation and groove binding compared with those of related Cd( ii ) and Zn( ii ) complexes reported in the literature. 26 The small binding constant value also indicated more surface aggregation and/or groove binding than any other interaction to the DNA base pairs. The negative values of Δ G established that spontaneous interactions occur between the compounds and DNA.Δ G = − RT ln K b …”

“…21,22 A number of Zn( ii ) and Cd( ii ) pincer complexes have been reported for promising anticancer activities against a variety of cancer cell lines. 17,23–26…”

“…21,22 A number of Zn(II) and Cd(II) pincer complexes have been reported for promising anticancer activities against a variety of cancer cell lines. 17,[23][24][25][26] In medical science, derivatives based on the scaffolds of pyridine-2-6-dicarboxamide are referred to as model compounds for the investigation of the impact of intramolecular hydrogen bonding along with steric and electronic aspects of molecular conformations. 6,27 In pursuit of designing chemotherapeutic metallodrugs, we report zinc and cadmium complexes bearing tridentate mesoionic NNN pincer ligands with increased steric bulk on the pyridinium nitrogen to improve cytotoxicity.…”