Modeling the QSAR of ACE-Inhibitory Peptides with ANN and Its Applied Illustration
Joint Authors
Ma, Haile
He, Ronghai
Zhu, Wenxue
Zhao, Jiewen
Luo, Lin
Zhao, Weirui
Qu, Wenjuan
Source
International Journal of Peptides
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-9, 9 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2011-06-09
Country of Publication
Egypt
No. of Pages
9
Main Subjects
Abstract EN
A quantitative structure-activity relationship (QSAR) model of angiotensin-converting enzyme- (ACE-) inhibitory peptides was built with an artificial neural network (ANN) approach based on structural or activity data of 58 dipeptides (including peptide activity, hydrophilic amino acids content, three-dimensional shape, size, and electrical parameters), the overall correlation coefficient of the predicted versus actual data points is R=0.928, and the model was applied in ACE-inhibitory peptides preparation from defatted wheat germ protein (DWGP).
According to the QSAR model, the C-terminal of the peptide was found to have principal importance on ACE-inhibitory activity, that is, if the C-terminal is hydrophobic amino acid, the peptide's ACE-inhibitory activity will be high, and proteins which contain abundant hydrophobic amino acids are suitable to produce ACE-inhibitory peptides.
According to the model, DWGP is a good protein material to produce ACE-inhibitory peptides because it contains 42.84% of hydrophobic amino acids, and structural information analysis from the QSAR model showed that proteases of Alcalase and Neutrase were suitable candidates for ACE-inhibitory peptides preparation from DWGP.
Considering higher DH and similar ACE-inhibitory activity of hydrolysate compared with Neutrase, Alcalase was finally selected through experimental study.
American Psychological Association (APA)
He, Ronghai& Ma, Haile& Zhao, Weirui& Qu, Wenjuan& Zhao, Jiewen& Luo, Lin…[et al.]. 2011. Modeling the QSAR of ACE-Inhibitory Peptides with ANN and Its Applied Illustration. International Journal of Peptides،Vol. 2012, no. 2012, pp.1-9.
https://search.emarefa.net/detail/BIM-485777
Modern Language Association (MLA)
He, Ronghai…[et al.]. Modeling the QSAR of ACE-Inhibitory Peptides with ANN and Its Applied Illustration. International Journal of Peptides No. 2012 (2012), pp.1-9.
https://search.emarefa.net/detail/BIM-485777
American Medical Association (AMA)
He, Ronghai& Ma, Haile& Zhao, Weirui& Qu, Wenjuan& Zhao, Jiewen& Luo, Lin…[et al.]. Modeling the QSAR of ACE-Inhibitory Peptides with ANN and Its Applied Illustration. International Journal of Peptides. 2011. Vol. 2012, no. 2012, pp.1-9.
https://search.emarefa.net/detail/BIM-485777
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-485777