Structural studies of L-Seryl-L-histidine dipeptide by means of molecular modeling, DFT and 1H NMR spectroscopy

被引：3
作者：
Liu, Y. [1 ]
Hou, J-B. [1 ]
Liu, X-X. [1 ]
Miao, F-M. [2 ]
Zhao, Y-F. [1 ,3 ]
机构：
[1] Xiamen Univ, Key Lab Chem Biol Fujian Prov, Dept Chem, Dept Biol Chem,Coll Chem & Chem Engn, Xiamen 361005, Peoples R China
[2] Tianjin Normal Univ, Chem & Life Coll, Tianjin 300074, Peoples R China
[3] Tsinghua Univ, Key Lab Bioorgan Phosphorus Chem & Chem Biol, Minist Educ, Dept Chem,Sch Life Sci & Engn, Beijing 100084, Peoples R China
来源：
JOURNAL OF STRUCTURAL CHEMISTRY | 2009年 / 50卷 / 05期
基金：
高等学校博士学科点专项科研基金; 美国国家科学基金会;
关键词：
Ser-His; dipeptide; molecular modeling; DFT; lowest energy structure; CYCLOPHILIN; PROTEIN; SUBSTRATE; CLEAVAGE;
D O I：
10.1007/s10947-009-0125-9
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
L-Seryl-L-histidine dipeptide is of scientific interest mainly because of its various biological activities. In this paper, the lowest energy structure of the dipeptide was determined by molecular modeling, and further validated by quantum chemistry calculations and H-1 NMR spectroscopy.
引用
收藏
页码：835 / 840
页数：6
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