基于分子对接祛湿药抗衰老活性成分筛选及作用机制解析.docVIP

基于分子对接祛湿药抗衰老活性成分筛选及作用机制解析 　　[摘要] 湿乃万病之源，湿邪易引起疾病、促进衰老，衰老也会促进疾病的发生发展。该文探讨湿邪与衰老的关系，发现祛湿中药中抗衰老的活性成分，对祛湿药的抗衰老作用进行机制解析。该文通过分子对接技术，以与衰老相关的雷帕霉素靶蛋白为对接受体，以茯苓、桑枝、木瓜、薏苡仁和厚朴5味祛湿药中的化学成分为对接小分子，初步筛选祛湿药中的抗衰老活性成分。与已上市雷帕霉素抑制剂坦西莫司及依维莫司对比，分析得到12种潜在的抗衰老的活性成分，这些成分的成药性有待进一步考察。分子对接结果表明祛湿药中多种成分可以通过作用于雷帕霉素靶蛋白而发挥抗衰老的活性，该结果为从湿论治延缓衰老提供了新的思路和方向。 　　[关键词] 抗衰老；祛湿药；湿邪；分子对接 　　[Abstract] Dampness evil is the source of all diseases， which is easy to cause disease and promote aging， while aging could also promote the occurence and development of diseases. In this paper， the relationship between the dampness evil and aging would be discussed， to find the anti-aging active ingredients in traditional Chinese medicine （TCM）， and analyze the anti-aging mechanism of dampness eliminating drug. Molecular docking technology was used， with aging-related mammalian target of rapamycin as the docking receptors， and chemical components of Fuling， Sangzhi， Mugua， Yiyiren and Houpo as the docking molecules， to preliminarily screen the anti-aging active ingredients in dampness eliminating drug. Through the comparison with active drugs already on the market （temsirolimus and everolimus）， 12 kinds of potential anti-aging active ingredients were found， but their drug gability still needs further study. The docking results showed that various components in the dampness eliminating drug can play anti-aging activities by acting on mammalian target of rapamycin. This result provides a new thought and direction for the method of delaying aging by eliminating dampness. 　　[Key words] anti-aging；drugs of eliminating dampness；dampness evil；molecular docking 　　doi：10.4268/cjcm 　　湿邪是中医病因学说独有的概念，具有4个特征：湿性重浊；湿为阴邪，易阻遏气机，损伤阳气；湿性黏滞；湿性趋下，易袭阴位[1]。现代生活中冠心病、糖尿病、类风湿关节炎、高血压等危害公众健康的几种重大疾病均与湿邪有关。 　　冠心病心绞痛属于中医胸痹范畴，近年来随着对冠心病认识的加深，痰瘀论在冠心病的治疗上得到了广泛认可。冠心病常见的病理过程就是由湿生痰，由痰致瘀，因此对冠心病从湿论治，在痰瘀形成之前，对湿邪进行干预，能起到既病防变的良好效果[2]。根据中医“治未病”的理论，现代中医治疗冠心病就应该从湿论治[3]。 　　糖尿病属于中医消渴的范畴，近年来，有关糖尿病的辨证论治研究的不断深入，尤其从湿热论治糖尿病成为该研究领域的热点。现代中医学家普遍认为，湿热证在糖尿病发生发展过程中不可忽视