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Synthesis, physicochemical, DNA binding, antitumor and theoretical realization of pyrazolone derivatives and their nano silver (I) complexes

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Document pages: 15 pages

Abstract: Four pyrazolone derivatives and their silver complexes were synthesized and characterized. According to elemental analysis, 1  :   2 (m)  :   50) the molar ratio of all inspected complexes is recommended. 1H, 13C NMR, mass, UV Vis, TGA and IR are spectral tools used to describe the formula. In addition, the particle size of strong particles in the nano range was evaluated by XRD and SEM. CT-DNA study was the main consideration of this study to test the interaction ability of all synthetic cationic complexes with cellular DNA. Each binding constant is calculated and associated with the Hammett sigma constant. Antitumor activity was detected on three cancer cell lines (MCF-7, HepG2 and HCT116). Recording the high efficiency of MCF-7 (breast cancer)cinoma) cell line. Kinetic studies yield essential parameters to assert on the rule of metal atom on thermal feature of organic compounds. Molecular modeling was implemented to optimize the structures of compounds. Also, molecular docking was achieved to obtain a clear view about proposed drug behavior within the affected cells. This was achieved through comparing the calculated internal energy values of all docking complexes. All the tested compounds displayed a significant interaction with breast cancer protein (strong matching with practical result) followed by DNA polymerase protein.

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