Self‐Assembled d¹⁰‐Metal (Cd(II), Zn(II), and Ag(I)) Complexes of Amino <i>bis</i>‐Pyrazolo‐<i>s</i>‐Triazine Pincer Ligand With Promising Anticancer and Antimicrobial Activities

Abstract

ABSTRACT The synthesis, structure, and biological examination of the pincer type ligand 2‐amino‐4,6‐ bis (3,5‐dimethyl‐1 H ‐pyrazol‐1‐yl)‐1,3,5‐triazine ( BPAT ) as well as its complexes [Cd(BPAT)(H 2 O) 2 (ClO 4 )]ClO 4 ; ( 1 ), [Cd(BPAT) 2 ](ClO 4 ) 2 .EtOH; ( 2 ), [Zn(BPAT)(H 2 O) 2 (ClO 4 )]ClO 4 ; ( 3 ), and [Ag(BPAT)(ACN)]ClO 4 ; ( 4 ) were reported here. The X‐ray single crystal examination showed that the Cd(II) and Zn(II) complexes possess distorted octahedral geometry, whereas Ag(I) has a distinctly deformed configuration positioned in the midway between square planar and tetrahedron. Hirshfeld analysis for intermolecular interactions that have a crucial role in the 3D structure of these complexes was conducted. Complexes 1 and 3 showed similar interatomic contacts where the most significant hydrogen bonds (O···H) contributed by 45.5% and 44.3%, respectively. For complexes 2 and 4 , the H···H forces dominate the molecular packing by 48.3% and 41.9%, respectively. Also, the N···H interactions have 13.7% and 9.7%, respectively. The anticancer activities against MCF‐7 and HeLa human carcinoma cell lines showed high to moderate potency compared to cis ‐platin. Complexes 1 , 2 , and 4 have the best activity against the MCF‐7 cell line recorded IC 50 values of 3.7 ± 0.15, 1.46 ± 0.06, and 1.91 ± 0.08 μg/mL, respectively. In addition, the same three complexes have the best activity against the HeLa cell line with IC 50 values of 3.71 ± 0.34, 3.38 ± 0.47, and 3.54 ± 0.21 μg/mL, respectively. All complexes exhibit selectivity indices greater than 1, suggesting their potential for application as cancer treatments. Moreover, all complexes exhibited a wide antimicrobial spectrum. Complex 2 showed interesting antibacterial activity especially over Proteus vulgaris and Staphylococcus aureus with an MIC value of 4.8 μg/mL for both microbes, whereas complex 1 showed remarkable antifungal activity over Candida albicans (MIC = 9.7 μg/mL) and Aspergillus niger (156.3 μg/mL) compared to ketoconazole (MIC = 156.3 and 625.0 μg/mL, respectively).