Research On The Design And Exploration Of Imaging Agents For β-amyloid Plaques In AD By The Method Of CAD

Alzheimer's Disease(AD) is a regression neurosis which poses a grave threat to the health of people. Early diagnosis plays a very important role in treating this disease. It has been found that formation and accumulation ofβ-amyloid(Aβ) peptide in the brain are crucial factors in the development and progression of AD. Therefore, research on neuroimaging of Aβplaques would be a potential method for early diagnosis of AD and development of treatment strategies. Molecular imaging agents can make people detect Aβunder the noninvasive fluorescent techniques such as PET and SPECT, and hence enable the diagnosis of AD in its presymptomatic stages.Based on the theory and method of computational chemistry, this paper investigates the binding mechanism between 4 current prevalent imaging agents and Aβplaques at first, using the program of Molegro Virtual Docker(MVD2007). We obtain the binding target position between the imaging agents and Aβplaques.Secondly, 9 naphthofuran compounds and 9 benzfuran compounds are designed for imaging agents, and their binding particularity with Aβplaques are discussed by the method of molecular docking through computer simulation. By comparing the relatively binding energy, we conclude that the link between naphthofuran compounds and Aβplaques is firmer than that between benzfuran compounds and Aβplaques. Therefore, naphthofuran compounds are considered as good imaging agents for AD.We mark the 9 naphthofuran compounds by Grid packet, and finally gain two appropriate targets from the nihe. We synthesize the two compounds and put them in the future research on medical experiment.