天津科技大学学报Issue(2)：6-10,5.DOI:10.13364/j.issn.1672-6510.2014.02.002
趋化因子受体CXCR4非肽类抑制剂药效团的设计
Pharmacophoric Design for Non-peptide Inhibitors of Chemokine Acceptor CXCR4
摘要
Abstract
CXCR4 is one of several chemokine receptors that HIV can use to infect host cells. To study the structure-activity relationship between chemokine receptor CXCR4 and its inhibitors,six inhibitors with structural diversity and high-activity were used to develop pharmacophore models,and then a molecular library consisting of active and decoy ligands was ap-plied to evaluate the predicting capability and rationality of every model by receiver operator characteristic(ROC)curve and enrichment factor(EF)value. The result should that a pharmacophore model with higher area under ROC curve and EF value was obtained,which can be used to guide the design of novel CXCR4 inhibitors and the development of the related anti-HIV drugs.关键词
药效团/CXCR4受体/抑制剂/ROC曲线/富集因子Key words
pharmacophore/CXCR4 receptor/inhibitor/ROC curve/EF value分类
化学化工引用本文复制引用
符海洋,燕志慧,林润方,刁爱坡,肖冬光..趋化因子受体CXCR4非肽类抑制剂药效团的设计[J].天津科技大学学报,2014,(2):6-10,5.基金项目
国家高技术研究发展计划“863计划”资助项目(2012AA023408) （2012AA023408）
