Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4‐methoxy‐pyridine‐2‐carboxylic acid, molecular docking studies and investigation of their anti‐tumor effects in vitro

Abstract

The first mixed ligand Mn (II) and Cd (II) complexes containing 4‐methoxy‐pyridine‐2‐carboxylic acid (4‐mpic) and 4,4′‐dimethyl‐2,2′‐bipyridine (dmbpy) were synthesized in this study. The geometric structures of [Mn(4‐mpic)2(dmbpy)] (complex 1) and [Cd(4‐mpic)2(dmbpy)] (complex 2) were determined by single crystal X‐Ray diffraction method. FT‐IR and UV–Vis spectra were also recorded to investigate vibrational and electronic properties of complexes 1 and 2. Density functional theory (DFT) calculations were also carried out to provide a deep understanding in geometric, spectroscopic, electronic and nonlinear optical (NLO) properties of complexes 1 and 2. The first‐order hyperpolarizibility (β) parameter calculated as 332.9736 × 10−30 esu demonstrated that complex 1 is an extremely promising candidate to NLO materials. Natural bond orbital (NBO) analysis not only verified the distorted octahedral geometries of central metal ions, but also found out the high‐energy interactions responsible for biological activities for complexes 1 and 2. Anti‐cancer activities of complexes 1 and 2 were tested on human breast carcinoma cell line MCF‐7 (ER and PR positive, HER2 negative) and the triple negative breast carcinoma cell line MDA‐MB 231 (ER, PR and HER2 negative). Dose–response relationship derived from MTT assays indicates that complexes 1 and 2 are showing concentration‐dependent effects, which could suggest a potential use for these drug combinations in cancer cell lines.

Retracted: A new 3D pillar‐layered Cd(II) compound: Luminescence sensing property for detection of Fe3+ ions and treatment activity on focal cerebral ischemia/reperfusion

“…Recent studies in the literature have revealed that some Cd(II)-based coordination complexes show interesting bioactivity. For instance, Tamer and co-workers have reported that the Cd(II)based coordination complex [Cd(4-mpic) 2 (dmbpy)] shows concentration-dependent effects in the MTT assays, which could suggest a potential use for these drug combinations in cancer cell lines [20] ; Bi and workers have prepared three metal coordination complexes based on different metal centers (Cu, Zn, and Cd), and they found that the Cd-based complex has the highest antiproliferative activity among the three complexes, which can inhibit proteasomal chymotrypsin-like activity and also can induce apoptosis on human breast cancer MDA-MB-231 cells. [21] It is generally believed that the structure and function of MOFs are determined by the organic ligand and metal ions.…”

Experimental and theoretical approaches on structural, spectroscopic (FT‐IR and UV‐Vis), nonlinear optical, and molecular docking analyses for Zn (II) and Cu (II) complexes of 6‐chloropyridine‐2‐carboxylic acid

“…[18][19][20] It was reported that some metal ion chelators that have shown promising antitumor activity include heterocyclic carboxaldehyde thiosemicarbazones, analogs of pyridoxal isonicotinoyl hydrazone, and other natural and synthetic chelators. 21,22 Due to the effective complexation ability of the pyridine ring and carboxylic acid group, pyridine-2-carboxylic acid and its derivates have attracted extensive attention as a potential chelating ligand. [22][23][24][25] In our previous study, Mn (II) and Cd (II) complexes of 4-methoxy-pyridine-2-carboxylic acid were synthesized and tested on human breast carcinoma cell line MCF-7.…”

“…21,22 Due to the effective complexation ability of the pyridine ring and carboxylic acid group, pyridine-2-carboxylic acid and its derivates have attracted extensive attention as a potential chelating ligand. [22][23][24][25] In our previous study, Mn (II) and Cd (II) complexes of 4-methoxy-pyridine-2-carboxylic acid were synthesized and tested on human breast carcinoma cell line MCF-7. 22 The obtained results demonstrated that the final complexes exhibit a higher inhibitory effect than both metal salts and ligands.…”

“…[22][23][24][25] In our previous study, Mn (II) and Cd (II) complexes of 4-methoxy-pyridine-2-carboxylic acid were synthesized and tested on human breast carcinoma cell line MCF-7. 22 The obtained results demonstrated that the final complexes exhibit a higher inhibitory effect than both metal salts and ligands. In another study, it was reported that Ru (II) complexes of pyridine-2-carboxylic acid displayed moderate antiproliferative effects toward colorectal carcinoma (HCT116) and cervix adenocarcinoma (HeLa).…”

Synthesis, spectral characterization and biological activities of Ag(I), Pt(IV) and Au(III) complexes with novel azo dye ligand (N, N, O) derived from 2-amino-6-methoxy benzothiazole

“…In the produced complexes spectra, these bands alter in shape and shift to lower wavenumbers (1682-1605) cm −1 indicated metal coordination with nitrogen in the benzothiazole ring (Sagdinc et al 2009). As can be seen in the spectrum of free ligand, strong band at 1497 cm −1 attributed to υ(N=N) stretching, because of the complexity associated with metal ions, this band is changing to a lower frequency and reduced in intensity (Tamer et al 2020). In addition, the spectrum shows the band at 1266 cm −1 , which correspond to the υ(C-S) of the benzothiazole ring.…”