Four new complexes derived from adamantly containing hydrazone (APH) ligand with Cu(II) (1), Co(II) (2), Ni(II) (3) and Zn(II) (4), have been synthesized and characterized using different physicochemical methods. The structure of the ligand APH and its copper complex 1 have been established by single-crystal X-ray diffraction direct methods, which reveal that complex 1 has distorted square-pyramidal geometry. Complexes 1–4 are screened against seven human cancer cell lines namely, breast cancer cell lines (MCF7, T47D, MDA-MB-231), prostate cancer cell lines (PC3, DU145) and the colorectal cancer cell line Coco-2, for their antiproliferative activities. Complex 1 has shown a promising anticancer activity compared to the other ones. The structural and spectroscopic analysis of APH and its complexes are confirmed by DFT calculations.

In this study, a series of 1,2,4-triazol-3-carbohydrazide derivatives and compound of 1,2,4-triazole-3-(4H)-thion have been synthesized. Structures and purity of the new compounds were confirmed by the use of their chromatographic and spectral data besides microanalysis. Four different bacterial stains for the study of the biological activity of compounds 6g, 7c, 7g and 7i; two Gram-positive strains, and two Gram-negative strains have been used. Compound 6g was found to be the most active of the four tested compounds against Pseudomonas aeruginosa, Bacillus cereus and Staphylococcus aureus, with an inhibition zone diameter of 16, 9, and 10 mm, respectively. Calculating the minimal inhibitory concentration value (MIC) for the positive drugs who formed an inhibition zone in the agar well diffusion method, we found that both compounds 6g and 7i were the most active of the four tested compounds against Pseudomonas aeruginosa and Bacillus cereus with an MIC value of 0.5 µg/mL for both bacteria. These results suggest that these two compounds could be considered as potential antibacterial agents against a range of bacteria.

Triazole is considered as a privileged scaffold in medicinal chemistry by virtue of it is diverse biological activity. several drugs currently in the market possess triazole moiety. In this study click chemistry was performed on the pyridine based 1,2,4-triazole-tethered propargyl moiety to afford 4-(5-(((1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazol-4-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine. The new compound was fully characterized by ¹H NMR, ¹³C NMR, HRMS and X-ray diffraction (XRD). XRD data indicated that, the structure shows: triclinic, space group P −1, a = 6.4427(3) A, ° b = 11.4352(4) A, ° c = 15.4510(5) A, ° α = 97.980(2)°, β = 96.043(2)°, γ = 92.772(2)°, V = 1118.75(7) Å 3, Z = 2, T = 152(2) K, μ(MoKα) = 0.094 mm−1, Dcalc = 1.364 g/cm3. Density functional theory (DFT) method along with Hirshfeld analysis of the optimized X-ray structure of the final product were used to confirm the molecular and the electronic structure of the reported compound.