Quantitative Structure-Activity Relationship Model for Prediction of Protein-Peptide Interaction Binding Affinities between Human Amphiphysin-1 SH3 Domains and Their Peptide Ligands

被引：2

作者：

Ding, Yuan ^{[1
]}

Lin, Yong ^{[1
]}

Shu, Mao ^{[1
]}

Wang, Yuanqiang ^{[1
]}

Wang, Li ^{[2
]}

Cheng, Xiaoming ^{[3
]}

Lin, Zhihua ^{[1
]}

机构：

[1] Chongqing Univ Technol, Sch Pharm & Bioengn, Chongqing 400050, Peoples R China

[2] Third Mil Med Univ, Inst Immunol PLA, Chongqing 400038, Peoples R China

[3] Third Mil Med Univ, Inst Resp Dis, Xinqiao Hosp, Chongqing 400037, Peoples R China

来源：

INTERNATIONAL JOURNAL OF PEPTIDE RESEARCH AND THERAPEUTICS | 2011年 / 17卷 / 01期

基金：

中国国家自然科学基金;

关键词：

SH3; domains; Peptide ligand; Quantitative structure-activity relationship; QSAR; Multivariate linear regression analysis; MLR; AMINO-ACID INFORMATION; MOLECULAR-DYNAMICS; IDENTIFICATION; RECOGNITION; QSAR; SPECIFICITY; RESIDUES; SITE; SRC;

D O I：

10.1007/s10989-011-9244-1

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Protein-protein interaction plays a critical role in signal transduction and many other key biological processes. The present study evaluated four parameters selected from among 554 physiochemical variables of 20 natural amino acids listed in AAindex, namely, hydrophobicity, electronic properties, steric properties, and hydrogen-bond properties. Human amphiphysin-1 Src homology 3 (SH3) domain-binding decapeptides were the object of analysis. A quantitative structure-activity relationship model of the SH3 domain-binding peptides was constructed using multivariate linear regression. The results showed that the four parameters ably characterize the structure of SH3 domain-binding decapeptides, have definitive physicochemical properties and a low level of computational complexity, are accessible, and may be used in integrated prediction models for other protein-peptide interactions.

引用

页码：75 / 79

页数：5