【摘 要】
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A series of new isoliquiritigenin(ISL)derivatives were synthesized and evaluated as inhibitors for amyloid-beta(Aβ)aggregation.It was found that all these synthetic compounds inhibited Aβ(1-42)self-ag
【机 构】
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School of Pharmaceutical Sciences,Guangxi University of Chinese Medicine,Nanning 530001,People's Re
【出 处】
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全国药物化学学术会议暨第四届中英药物化学学术会议
论文部分内容阅读
A series of new isoliquiritigenin(ISL)derivatives were synthesized and evaluated as inhibitors for amyloid-beta(Aβ)aggregation.It was found that all these synthetic compounds inhibited Aβ(1-42)self-aggregation aggregation effectively[1].Amound them 4d with Molecular Formula(C21H21NO5,Fig.1)showed the most activity with IC50 =2.2 ± 1.5μM.Molecular docking and MD simulation techniques were used to explore the mechanism for 4d to inhibit amyloid-beta(Aβ)aggregation[2].Experimental and calculated results have been revealed potentially important information that both van der waals and electrostatic interactions play an important role in the stability of the complex 4d/Aβ(1-42)(Fig.2.).Compound 4d can inhibit the formation of Asp23-Lys28 salt bridge,which is an important factor for stabilizing complex 4d/Aβ(1-42).These are in agreement with our result from CD experiment that 4d could reduce or inhibit b-sheet aggregation.This study provided potentially important information for further development of ISL derivatives as Aβ aggregation agents for AD treatment.
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