鹰嘴豆牙素A及其类似物泛PPAR活性虚拟筛选研究
首发时间:2015-05-25
摘要:过氧化物酶体增殖物激活受体(PPARs)对糖代谢,脂代谢和血管炎症具有广泛的调节作用,是糖尿病药物开发的一个很有前途的研究靶点。本文在已知的PPARα/γ双重激动剂鹰嘴豆牙素A的化学结构基础上,构建其类似物的虚拟配体库,利用分子对接方法进行虚拟筛选,从中筛选出4个潜在的具有PPARs泛激动活性的化合物。
关键词: 中药学 过氧化物酶体增殖物激活受体 泛激动剂 鹰嘴豆牙素A 虚拟对接
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Virtual screening on Biochanin A analogue library for pan PPAR agonists
Abstract:Peroxisome proliferator activated receptors (PPARs) play extensive regulatory roles on glucose metabolism, lipid metabolism and vascular inflammation, and is a promising research target for diabetes drug development. In this paper, virtual ligand library of biochanin A analogues was constructed based on a known PPARα/γ dual agonist. Through virtual molecular docking method, four compounds with potential PPAR pan agonist activity were found for further rearch.
Keywords: science of chinese materia medica peroxisome proliferators activated receptors pan agonists biochanin A virtual docking
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No.4644199962554143****
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