AI4ACEIP: A Computing Tool to Identify Food Peptides with High Inhibitory Activity for ACE by Merged Molecular Representation and Rich Intrinsic Sequence Information Based on an Ensemble Learning Strategy

• Published in: Journal of agricultural and food chemistry
• Main Authors: Yang, Sen, Ni, Jiaqi, Xu, Piao
• Format: Journal Article
• Language: English
• Published: 04.11.2024
• ISSN: 0021-8561; 1520-5118; 1520-5118
• DOI: 10.1021/acs.jafc.4c05650

Hypertension is a common chronic disorder and a major risk factor for cardiovascular diseases. Angiotensin-converting enzyme (ACE) converts angiotensin I to angiotensin II, causing vasoconstriction and raising blood pressure. Pharmacotherapy is the mainstay of traditional hypertension treatment, leading to various negative side effects. Some food-derived peptides can suppress ACE, named ACEIP with fewer undesirable effects. Therefore, it is crucial to seek strong dietary ACEIP to aid in hypertension treatment. In this article, we propose a new model called AI4ACEIP to identify ACEIP. AI4ACEIP uses a novel two-layer stacked ensemble architecture to predict ACEIP relying on integrated view features derived from sequence, large language models, and molecular-based information. The analysis of feature combinations reveals that four selected integrated feature pairs exhibit enhancing performance for identifying ACEIP. For finding meta models with strong abilities to learn information from integrated feature pairs, PowerShap, a feature selection method, is used to select 40 optimal feature and meta model combinations. Compared with seven state-of-the-art methods on the source and clear benchmark data sets, AI4ACEIP significantly outperformed by 8.47 to 20.65% and 5.49 to 14.42% for Matthew's correlation coefficient. In brief, AI4ACEIP is a reliable model for ACEIP prediction and is freely available at https://github.com/abcair/AI4ACEIP.Hypertension is a common chronic disorder and a major risk factor for cardiovascular diseases. Angiotensin-converting enzyme (ACE) converts angiotensin I to angiotensin II, causing vasoconstriction and raising blood pressure. Pharmacotherapy is the mainstay of traditional hypertension treatment, leading to various negative side effects. Some food-derived peptides can suppress ACE, named ACEIP with fewer undesirable effects. Therefore, it is crucial to seek strong dietary ACEIP to aid in hypertension treatment. In this article, we propose a new model called AI4ACEIP to identify ACEIP. AI4ACEIP uses a novel two-layer stacked ensemble architecture to predict ACEIP relying on integrated view features derived from sequence, large language models, and molecular-based information. The analysis of feature combinations reveals that four selected integrated feature pairs exhibit enhancing performance for identifying ACEIP. For finding meta models with strong abilities to learn information from integrated feature pairs, PowerShap, a feature selection method, is used to select 40 optimal feature and meta model combinations. Compared with seven state-of-the-art methods on the source and clear benchmark data sets, AI4ACEIP significantly outperformed by 8.47 to 20.65% and 5.49 to 14.42% for Matthew's correlation coefficient. In brief, AI4ACEIP is a reliable model for ACEIP prediction and is freely available at https://github.com/abcair/AI4ACEIP.