Journal of Food, Agriculture and Environment

Performance of four sets of amino acid descriptor scales for evaluating quantitative structure-activity relationships of angiotensin I converting enzyme inhibitory dipeptides

Author(s):

Cuie Guang ^{1, 2}*, Robert D. Phillips ²

Recieved Date: 2012-01-22, Accepted Date: 2012-04-27

Abstract:

Activity of angiotensin I converting enzyme (ACE) inhibitory dipeptides is a function of molecular structure, and their relationship can be modeled using partial least square (PLS) regression. In this report, four sets of amino acid descriptor scales from two separate labs were used to investigate their performance in quantitative structure-activity relationship (QSAR) study. The final model, based on factor analysis scales of generalized amino acid information (FASGAI), was selected to predict activities for ACE inhibitory dipeptides including dipeptide Phe-Phe previously isolated from Alcalase hydrolysate of cowpea. The preferred structure was also proposed. A potent ACE inhibitory dipeptide should have a large and hydrophobic amino acid such as Trp and Phe at the C-terminus and a nonpolar amino acid such as Val, Leu and Ile or possibly a positively charged amino acid such as Arg and Lys at the N-terminus. 

Keywords:

ACE inhibitory dipeptides, quantitative structure-activity relationship, partial least square regression, amino acid descriptors

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Journal: Journal of Food, Agriculture and Environment
Year: 2012
Volume: 10
Issue: 2
Category: Food and Health
Pages: 227-232

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