Angiotensin-I-converting enzyme inhibitory peptides: Chemical feature based pharmacophore generation
文献类型： 外文期刊
作者： Wang, Zhanli 1 ; Zhang, Saisai 1 ; Jin, Hongwei 3 ; Wang, Wei 4 ; Huo, Jianxin 2 ; Zhou, Lishe 2 ; Wang, Yongfu 2 ; Feng, 1 ;
作者机构： 1.Zhejiang Univ, Dept Food Sci & Nutr, Hangzhou 310029, Zhejiang, Peoples R China
2.Baotou Med Coll, Affiliated Peoples Hosp 1, Baotou 014010, Peoples R China
3.Peking Univ, Natl Res Lab Nat & Biomimet Drugs, Sch Pharmaceut Sci, Beijing 100083, Peoples R China
4.Zhejiang Acad Agr Sci, Inst Qual & Standard Agr Prod, Hangzhou 310021, Zhejiang, Peoples R China
关键词： Angiotensin-l-converting enzyme;Inhibitory peptide;Pharmacophore modeling;Virtual screening
期刊名称：EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY （ 影响因子：6.514； 五年影响因子：6.099 ）
ISSN： 0223-5234
年卷期： 2011 年 46 卷 8 期
页码：
收录情况： SCI
摘要： A validated 3D pharmacophore model was generated for a series of ACE inhibitory peptides, which consisted of five features (two hydrophobic functions, two hydrogen bond acceptors, and a negative ionizable function). The built model was able to correctly predict the activity of known ACE inhibitors. The model was then used as query to search 3D databases of peptides. Three novel peptides (I, II and III) were synthesized and biologically evaluated in vitro. It appears that the in vitro activity of peptides I, II and III was consistent with their molecular modeling results. Our results provided confidence for the utility of the pharmacophore model to retrieve novel ACE inhibitory peptides with desired biological activity by virtual screening. (C) 2011 Elsevier Masson SAS. All rights reserved.
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