Synthesis, characterization, biological properties, and molecular docking studies of new phosphoramide-based Ag(i) complexes

Two new Ag(i) complexes of N-(n-pyridinypdiphenylphosphinic amide (n = 2 and 3) (L-o and L-m) with formulae Ag(L-o)NO3 (C-o) and Ag(L-m)NO3 center dot H2O (C-m) were synthesized. Infrared, NMR, and elemental analyses were applied to fully characterize them. The crystal structure of C-m was also assessed using single-crystal X-ray diffraction and the monoclinic nature of the silver complex was illustrated. The organization of four coordinated dinuclear Ag(i) complexes and intermolecular interactions were also studied. The supramolecule was formed by the cooperation of various intermolecular interactions, hydrogen bonds, M center dot center dot center dot pi, pi center dot center dot center dot pi contacts, and CH center dot center dot center dot pi synthons. Antibacterial studies of Ag(i) compLexes and the corresponding ligands against Gram-negative (Escherichia coli) and Gram-positive bacteria (Staphylococcus aureus) were carried out by MIC, MBC, and DDA methods and C-m showed more bactericidal activity than C-o against both bacteria (E. coli; MIC = 9.7 mu g mL(-1) and S. aureus; MIC = 78 mu g mL(-1)). The potential antitumor activity of C-o and C-m was also evaluated for human colon cancer cell Lines (SW480) through anticancer (MTT and apoptosis) experiments, and it was revealed that C-m has the most toxicity (IC50 = 39.6 mu g mL(-1)) by an MTT assay. An initial evaluation of the mechanism of cell death induced by C-o and C-m was performed. Cell death was mainly from the activation of apoptosis processes. The results were further examined by docking studies to confirm that C-m has the potency to be a good candidate for biological applications.

Automated summary

Two new Ag(i) complexes were synthesized and fully characterized. One of the complexes showed stronger antibacterial and anticancer activity. The crystal structure and intermolecular interactions of the complexes were studied, and the mechanism of cell death induced by the complexes was evaluated through apoptosis and other experiments.