世界中医药2017，Vol.12Issue(7)：1693-1697,5.DOI:10.3969/j.issn.1673-7202.2017.07.053
女贞子成分抗骨质疏松的潜在作用靶点虚拟筛选
Virtual Screening of Potential Anti-osteoporosis Targets for Compounds From Fructus Ligustri Lucidi
摘要
Abstract
Objective:To perform computational screening of potential target compounds from Fructus Ligustri Lucidi and to explore the biological significance of these targets which has anti-osteoporotic effect.Methods:ChemDraw and PharmMapper software were used to screen target components that were active against osteoporosis in the virtual world.Cytoscape software was used to establish a biological regulation network model.Results:Five components of Fructus Ligustri Lucidi (specnuezhenide,ligustroflavone G13,ligustroflavone,salidroside and oleonuezhenide) were able to bind different target proteins related to osteoporosis.Two targets,Glycogen synthase kinase (GSK)-3 beta and Casein kinase (CK)2-alpha,were related to the Wnt signaling pathway.Six targets (Cell division protein kinase [CDPK]-2,Apoptotic protease-activating factor [APAF]-1,CK2-alpha,Death-associated protein [DAP] kinase 1,Caspase[CASP]-3 andInositol-tetrakisphosphate 1-kinase[ITPK1]) were related to apoptosis pathways.Among the 5 binding components,some had multiple targets while some targets could be associated with different components.Specnuezhenide,ligustroflavone and ligustroflavone G13 were able to combine with APAF-1;specnuezhenide,ligustroflavone and oleonuezhenide shared CK2-alpha.Conclusion:Through screening of Fructus Ligustri Lucidi target components,we found that some components promote bone formation and inhibit bone resorption through alteration of Wnt and apoptosis pathways.It is helpful to understand the multiple target mechanisms of Fructus Ligustri Lucidi components and their anti-osteoporosis effects.关键词
女贞子/凋亡途径/wnt途径/靶点Key words
Fructus Ligustri Lucidi/Apoptosis pathway/Wnt pathway/Target分类
医药卫生引用本文复制引用
战美,周家杰,吴琪聪,崔达华,刘艳秋..女贞子成分抗骨质疏松的潜在作用靶点虚拟筛选[J].世界中医药,2017,12(7):1693-1697,5.基金项目
国家自然科学基金项目(81473545) （81473545）
大连医科大学本科创新人才培养教学改革项目基金(2016111506010203 （）
400006) （）
