Sod Enzyme Model Compounds Of Vanadium Cofactor Analog Design, Synthesis, Characterization And Structure-activity Relationship Study

Vanadium is the essential trace element of human body. In the past ten years or so, when the chemical mechanism which vanadium presents biological activity has been understood deeper and deeper, chemists and pharmcaists have been more and more interented in vannadium chemistry. So vanadium chemistry has become an active field. With the research foundation of SOD mimic chemistry in ourgroup, this thesis tries to open up a path for further investigation. In this paper, the development of trace vanadium element in chemistry and life science has been reviewed. According to the electron to the structural micro-environment of SOD's active sites, a series of SOD mimics containing vanadium have been synthesized. Some ligands and mimetic complexes have been characterized not only by IR and UV spectra, but also by crystal structure analysis, the quantum chemistry calculation were completed for some compounds. And the bioligical activities of all complexes have been tested. The main works are as follows:1. Review of the genaral situation and the significance of vanadim in biology.2. The summarization of the enzyme containing vanadium in the enzyme's center and it's development in life science .3. In the active site of Fe-SOD, Fe was exchanged for vanadium, the new active site of V-SOD was as a calculation model. Using Gassian98 with LANL2DZ basis sets, the quantum chemistry calculation of the model was performed.4. A series of ligands which all include imidazolyl group were designed and synthesized. The crystal structure of one of them was determined by X-ray diffraction. With Gaussian98 program, the calculations of quantum chemistry to this ligand were undergone.5. Synthesis and C, H, N element analysis of some of the mononuclear complexes have been completed. IR and UR spectral analysis were performed to all of the complexes.6. Two crystal and electron structures of vanadium complexes with Bis(benzimidazol-2-ylmethyl)methylamine and Bis(benzimidazol-2-ylmethyl)benzylamine were investigated not only by X-ray diffraction methods, but also by quantum chemistry method. The relationship between structure and activity was discussed.7. The bioligical activities of all complexes were tested by means of modified pyrogallol autoxidation . The results indicates that V-SOD mimics present limited fine biological activities. This work opens up a new path for syntheizing new SOD mimics and studying the relationship between structure and biological activity of the mimics compounds.