胸腺肽及其一些合成类似物的定量构效关系研究  

Quantitative Structure-Activity Relationships Study of Tymopentin and Some of Its Synthetic Analogs

作　　者：简虹[1] 邱开雄[1] 付继军[1] 喻芳[1] 黄大荣[1] 

机构地区：[1]昆明医学院化学教研室,云南昆明650031

出　　处：《昆明医学院学报》2008年第3期14-17,共4页Journal of Kunming Medical College

基　　金：云南省教育厅科学研究基金资助项目(40411100)

摘　　要：目的研究胸腺肽和受体相互作用的分子机制和全方位地寻找其药效基团.方法用理论构象分析法对胸腺肽的生理活性碎片Arg-Lys-Asp-Val-Tyr和它的[Lys1-Arg2]、[Glu3]和[Gly3]3个合成类似物的空间结构进行研究.结果Val和Tyr的低能结构及已知的优势构象作为该5肽结构变体的起始,当所有残基的主链和支链的旋转角变化时,它的能量降低.结论分子的可能构象是具有5种不同主链的构象.Objective To study molecular mechanism of interraction of tymopentin and accepter and to explove effective groups. Method Trspatial structures the biologically active fragment Arg-Lys-Asp-Val-Tyr of tymopoetin （tymopentin） and its synthetic analogs [Lys^1-Arg^2]- [Glu^3] -and [Gly^3] were investigated by theoretical conformational analysis. Results The tow enengy configuration of Val and Tyn and known preferential conformations were regarded as the begainning of the configuration variation of cinquepeptides. The Val and Tyo energy decreased with the gyratoy angle change of all forma. Conclusion These results indicate that the conformati aqueous solution by five different backbone forms. the residues in both backbone forms and branch onal properties of fragments are represented in aqueous solution by five different backbone forms.

关 键 词：胸腺肽 构效关系 构象分析 

分 类 号：R153.2[医药卫生—营养与食品卫生学]