[1]张艳萍,成 忠,俞远志.基于3种建模法的食源性ACE抑制二肽QSAR研究[J].浙江科技学院学报,2015,(03):174-182.[doi:10.3969/j.issn.1671-8798.2015.03.004]
　ZHANG Yanping,CHENG Zhong,YU Yuanzhi.QSAR study of angiotensin I-converting enzyme inhibitory dipeptides based on three kinds of modeling methods[J].,2015,(03):174-182.[doi:10.3969/j.issn.1671-8798.2015.03.004]
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基于3种建模法的食源性ACE抑制二肽QSAR研究()
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《浙江科技学院学报》[ISSN:1001-3733/CN:61-1062/R]

卷:
期数:
2015年03期
页码:
174-182
栏目:
出版日期:
2015-05-27

文章信息/Info

Title:
QSAR study of angiotensin I-converting enzyme inhibitory dipeptides based on three kinds of modeling methods
文章编号:
1671-8798(2015)03-0174-09
作者:
张艳萍; 成 忠; 俞远志
浙江科技学院 生物与化学工程学院,杭州 310023
Author(s):
ZHANG Yanping;  CHENG Zhong;  YU Yuanzhi
School of Biological and Chemical Engineering, Zhejiang University of Science and Technology, Hangzhou 310023, China
关键词:
血管紧张素转化酶; 二肽; 支持向量机; 偏最小二乘; 定量构效关系
分类号:
R972
DOI:
10.3969/j.issn.1671-8798.2015.03.004
文献标志码:
A
摘要:
以自组建的食源性血管紧张素转化酶(angiotensin I-converting enzyme, ACE)抑制二肽为研究样本，采用氨基酸描述子VHSE(principal component score vector of hydrophilicity, steric, and electronic properties)对ACE抑制二肽进行表征后，比较偏最小二乘(partial least square regression,PLS)、支持向量机(support vector machine, SVM)及主成分分析(principal component analysis, PCA)-SVM相结合的3种建模方法对ACE抑制二肽的QSAR(quantitative structure-activity relationship)建模。结果显示,对于食源性ACE抑制二肽，3个模型的拟合能力无明显差异，SVM模型的预测能力略强；对其进行权重投影分析发现，C末端氨基酸较N末端氨基酸对其活性的影响更为明显。

参考文献/References:

［1］刘静,管骁,彭剑秋.神经网络在ACE抑制肽QSAR中的应用研究［J］.分析测试学报,2012,31(10):1260-1265.
［2］Jamdar S N, Rajalakshmi V, Pednekar M D, et al. Influence of degree of hydrolysis on functional properties, antioxidant activity and ACE inhibitory activity of peanut protein hydrolysate［J］. Food Chemistry,2010,121(1):178-184.
［3］Qu W J, Ma H L, Pan Z L, et al. Preparation and antihypertensive activity of peptides from porphyra yezoensis［J］. Food Chemistry,2010,123(1):14-20.
［4］Ko S C, Kang M C, Lee J K, et al. Effect of angiotensin I-converting enzyme (ACE) inhibitory peptide purified from enzymatic hydrolysates of styela plicata［J］. European Food and Technology,2011,233: 915-922.
［5］梅虎.肽的定量构效关系研究［D］.重庆:重庆大学,2005.
［6］Wu J, Aluko R E, Nakai S. Structural requirements of angiotensin I converting enzyme inhibitory peptides: Quantitative structure activity relationship study of di-and tri peptides［J］. Journal of Agricultural and Food Chemistry,2006,54(3):732-736.
［7］Wu  J, Aluko R E, Nakai S. Structural requirements of angiotensin I converting enzyme inhibitory peptides: Quantitative structure activity relationship modeling of peptides containing 4-10 amino acid residues［J］. QSAR and Combinatorial Science,2006,25(10):873-880.
［8］Pripp A H, Isaksson T, Stepaniak L, et al. Quantitative structure-activity relationship modeling of ACE-inhibitory peptides derived from milk proteins［J］. European Food Research and Technology,2004,219(6):579-583.
［9］Pripp A H. Docking and virtual screening of ACE inhibitory dipeptides［J］. European Food Research and Technology,2007,225(4):589-592.
［10］Mei H, Liao Z H, Zhou Y, et al. A new set of amino acid descriptors and its application in peptide QSARs［J］. Biopolymers,2005,80(6):775-786.
［11］周鹏,曾晖,李波,等.支持向量机分类和回归用于肽的QSAR研究［J］.化学通报,2006,69(5):342-346.
［12］印家健,李梦龙,文志宁,等.支持向量回归用于氨基酸描述符在肽QSAR建模中的性能评价［J］.四川大学学报,2006,43(2):396-402.
［13］梅虎,周原,孙立力,等.一种新的氨基酸描述子及其在肽QSAR中的应用［J］.物理化学学报,2004,20(8):821-825.
［14］张艳萍.贻贝蛋白中ACE抑制肽的制备及其构效关系研究［D］.杭州:浙江工商大学,2010.

备注/Memo

备注/Memo:
收稿日期: 2015-02-03
基金项目: 浙江省自然科学基金项目(LQ12C19004)
作者简介: 张艳萍(1976—   ),女,甘肃省瓜洲人,高级工程师,博士,主要从事功能肽的制备研究。
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