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蛙皮降压肽类似物构效关系的研究
Quantitative structure activity relationship research on sauvagine analogues
【摘要】 蛙皮降压肽(Sauvagine,Svg)是一种良好的促肾上腺皮质激素,释放因子2受体(CRF2R)激动剂,但它是一种非选择性激动剂,作用于CRF1R而产生副作用。为了探讨蛙皮降压肽类似物对CRF2R与CRF1R选择性的影响,本文使用正交因子(Orthogonal Factors,Orth-Factors)描述子,对45个蛙皮降压肽类似物与CRF2F、CRF1R的亲合力进行了QSAR研究,所建立的QSAR模型预测能力良好。通过QSAR模型信息,设计了17个蛙皮降压肽类似物,其中3个对CRF2R与CRF1R受体选择性良好(SQ:110,TQ:105,VQ:110),有进一步研究的价值。
【Abstract】 The sauvagine(Svg)is a good agonist for corticotropin Releasing Factor 2 Receptor(CRF2R).Unfortunately,Svg is a nonselective CRFR agonist,thus making it of less utility due to side effects resulting from corticotropin release factor 1 receptor (CRF1R)activation.In order to research the selectivity of Svg analogues for CRF2R and CRFIR,the Orthogonal Factors(Orth-Fae- tors)descriptors were used to characterize the Svg analogues and the QSAR model was constructed which reflect the interaction between Svg and CRF2R or CRF1R.The QSAR model has high performance prediction(CRF2R:R~2=0.633,Q~2=0.428;CRF1R:R~2= 0.918,Q~2=0.770).According to the information of QSAR model,17 Svg analogues were designed including 3 peptides with high se- lectivity to CRF2R and CRF1R,and it is valuable to research these Svg analogues.
【Key words】 corticotropin releasing factor 2 receptor(CRF2R)； sauvagine； peptide； quantitative structure activity relationship(QSAR)；
- 【文献出处】 计算机与应用化学 ,Computers and Applied Chemistry , 编辑部邮箱 ,2007年11期
- 【分类号】R914
- 【被引频次】4
- 【下载频次】139