菜豆凝集素抑制剂的设计与凝血活性  

Design of Common Bean Lectin Inhibitor and Its Hemagglutination Activity

作　　者：刘琴[1] 喻艳华[2] 陈伟达[1] 陈禅友[1] 赵蕴杰[3,4] 曾辰[1,4] 

机构地区：[1]江汉大学生命科学学院,武汉430056 [2]江汉大学交叉学科研究院,武汉430056 [3]华中师范大学物理科学与技术学院,武汉430079 [4]乔治华盛顿大学物理系,华盛顿哥伦比亚特区20052

出　　处：《高等学校化学学报》2017年第7期1185-1191,共7页Chemical Journal of Chinese Universities

基　　金：武汉市第三批黄鹤英才计划项目(批准号:武人才[2014]3号);中央高校基本科研业务费(批准号:23020205170045);湖北省科技平台项目(批准号:鄂科技通[2011]第101号)资助~~

摘　　要：针对菜豆凝集素二聚体复合物的结构特征,利用计算机辅助药物设计的方法设计抑制剂以破坏复合物结构;进一步采用标准的Fomc保护氨基酸NT氨基的固相法合成纯化了小肽抑制剂.体外兔血红细胞凝集实验结果表明,该小肽对菜豆凝集素的凝血能力有一定的抑制效果.该方法为植物凝集素凝血研究及菜豆相关的食品安全问题提供了一个新思路.Common bean（Phaseolus vulgaris L. ）, rich in protein and low in fat, is one of the most important legume crops in the world. However, consumption of improperly prepared common bean can lead to food poisoning. Previous studies have largely attributed this toxic effect to the high content in lectin, a plant protein that binds specifically to carbohydrate or carbohydrate structures displayed on cell surface. Since most lectin forms a dimer complex for biological functions, a short peptide was designed to break the dimer interface. Detailed dynamical network and structural characteristic analysis were performed to select this peptide. In vitro hemagglutination assay showed that this peptide, upon binding to lectin, disrupts the dimer formation partially and weakens the hemagglutination effect. Taken together, a novel peptide inhibitor was designed whose potency and specificity can be further optimized for anti-hemagglutination and food safety applications.

关 键 词：菜豆凝集素 分子动力学 药物设计 抑制剂设计 凝血活性 

分 类 号：O629.7[理学—有机化学]