Interaction Between ArginaseⅠand Butylphthalide

doi:10.3969/j.issn.0251-0790.2012.05.037

Chem. J. Chinese Universities ›› 2012, Vol. 33 ›› Issue (05): 1069.doi: 10.3969/j.issn.0251-0790.2012.05.037

• Physical Chemistry • Previous Articles Next Articles

Interaction Between ArginaseⅠand Butylphthalide

LI Shuai¹, HUANG Xu-Ri¹, ZHAO Gang², SUN Ruo-Xi², GAO Xue-Feng²

1. Institute of Theoretical Chemistry, Jilin University, Changchun 130021, China;
2. College of Life Sciences, Jilin University, Changchun 130012, China

Received:2011-05-04 Online:2012-05-10 Published:2012-05-10

Abstract

Abstract: 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.

Key words: Arginase Ⅰ, Butylphthalide, Chiral, Activator, Molecular dynamics

CLC Number:

O641

TrendMD:

LI Shuai, HUANG Xu-Ri, ZHAO Gang, SUN Ruo-Xi, GAO Xue-Feng. Interaction Between ArginaseⅠand Butylphthalide[J]. Chem. J. Chinese Universities, 2012, 33(05): 1069.

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Interaction Between ArginaseⅠand Butylphthalide

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