Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of Molecular Structure called Synthesis, molecular modeling, and docking studies of a new pyridazinone-acid hydrazone ligand, and its nano metal complexes. Spectroscopy, thermal analysis, electrical properties, DNA cleavage, antitumor, and antimicrobial activities, Author is Abdelrahman, Maha S. A.; Omar, Fouz M.; Saleh, Akila A.; El-ghamry, Mosad A., which mentions a compound: 66-71-7, SMILESS is C1=CC3=C(C2=NC=CC=C12)N=CC=C3, Molecular C12H8N2, Related Products of 66-71-7.
New nano Co(II), Ni(II), Cu(II), Zn(II), Fe(III) complexes, and oxovanadium(IV), dioxouranium(VI) complexes of pyridazinone-acid hydrazone ligand, DCNHP (H2L), in addition of new mixed-ligand complexes using 8-HQ/or 1,10-phen as an auxiliary ligand (L’), were synthesized and characterized by different techniques. The ligand, H2L, acted as tridentate towards the metal ions in a mono-, and bis- deprotonated form. The complexes exhibited a variety of geometrical structures including octahedral, square pyramidal, and tetrahedral configurations. The results of TGA confirmed the thermal stability of the metal complexes. The X-ray diffractograms and TEM images confirmed that the particles of the studied compounds were situated in nano-range with spherical and stick-shaped. Mol. modeling studies indicated that the theor. data agree well with the exptl. results. The antimicrobial activity study showed enhancement in activity of the free ligand upon complexation. The results of antitumor screening indicated that all examined compounds displayed inhibition of Hepatocellular carcinoma cell line (HepG-2) viability. The ligand, H2L, and its nano Cu(II) complex 7 displayed strong antitumor activity with IC50 = 3.80 and 3.81μg/mL, resp. The DNA cleavage study revealed that no ability for the screened compounds to cleavage DNA, and they may be able to induce cellular death in cancer cells through the apoptosis pathway. The docking results suggesting strong interactions of both the ligand, H2L, and its Cu(II) complex 7 with the VEGFR-2 enzyme, these interactions are very similar to that of the known hepatocellular carcinoma (HCC) inhibitor, sorafenib (Nexavar) with the target enzyme, and indicating the effective inhibition of the studied compounds towards hepatocellular carcinoma. Moreover, the elec. conductivity study in solid-state revealed that the nano Cu(II) complex 7 displayed higher σac values than that for the free ligand, H2L, and the studied compounds act as semiconductors.
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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics