精氨酸酶Ⅰ与丁基苯酞的相互作用  

Interaction Between ArginaseⅠand Butylphthalide

作　　者：李帅[1] 黄旭日[1] 赵刚[2] 孙若溪[2] 高雪峰[2] 

机构地区：[1]吉林大学理论化学研究所,长春130021 [2]吉林大学生命科学学院,长春130012

出　　处：《高等学校化学学报》2012年第5期1069-1073,共5页Chemical Journal of Chinese Universities

基　　金：河北省自然科学基金(批准号:C2011319002)资助

摘　　要：利用代谢物组学推测出精氨酸酶Ⅰ作为丁基苯酞的作用靶点的可能性,然后用分子对接和分子动力学模拟研究了单一手性的左旋(L)和右旋(D)丁基苯酞与精氨酸酶Ⅰ的相互作用,结果发现,L-丁基苯酞与精氨酸酶Ⅰ形成的复合物比较稳定.随后的酶学实验也证实,L-丁基苯酞对精氨酸酶Ⅰ有明显的激活作用,而D-丁基苯酞对其活性无明显影响.Arginase Ⅰ is one of the two subtypes of arginase,mainly exists in the cytoplasm of the liver,brain and other place.Arginine can be metabolized to ornithine,and then ornithine metabolized to polyamines.In this paper it was suggested that arginase Ⅰ might play an role of target for n-butylphthalide（NBP） by metabonomics,and then the interaction between arginase Ⅰ and chiral butylphthalide（L- and D-） was studied via molecular docking and molecular dynamics simulations,and it was found that complex L-NBP-arginase Ⅰ was more stable.The experimental results confirmed that L-NBP has the obvious activation function to arginase Ⅰ,but the D-NBP does not have obvious influence on arginase Ⅰ.

关 键 词：精氨酸酶Ⅰ 丁基苯酞 手性 激活剂 分子动力学 

分 类 号：O641[理学—物理化学]