Abstract
Strategies to screen antihypertensive peptides with high throughput and rapid speed will doubtlessly contribute to the treatment of hypertension. Food-derived antihypertensive peptides can reduce blood pressure without side effects. In the present study, a novel model based on the eXtreme Gradient Boosting (XGBoost) algorithm was developed and compared with the dominating machine learning models. To further reflect on the reliability of the method in a real situation, the optimized XGBoost model was utilized to predict the antihypertensive degree of the k-mer peptides cutting from six key proteins in bovine milk, and the peptide–protein docking technology was introduced to verify the findings. The results showed that the XGBoost model achieved outstanding performance, with an accuracy of 86.50% and area under the receiver operating characteristic curve of 94.11%, which were better than the other models. Using the XGBoost model, the prediction of antihypertensive peptides derived from milk protein was consistent with the peptide–protein docking results, and was more efficient. Our results indicate that using the XGBoost algorithm as a novel auxiliary tool is feasible to screen for antihypertensive peptides derived from food, with high throughput and high efficiency.
Highlights
Hypertension, known as cardiovascular syndrome, is a modifiable risk factor responsible for a high burden of disability and death [1]
XGBoost model was achieved in ACEIP3306, with cross-validation a mean accuracybased of 86.50%, XGBoost model was adopted to execute 5-fold on the average sensitivity of 86.08%, average and specificity of 86.92%, average precision ofof three datasets
In order to comprehensively display the of the model, the sensitivity of 86.08%, average specificity of 86.92%, andperformance average precision of 86.85%, receiver operating characteristic curve (ROC)
Summary
Hypertension, known as cardiovascular syndrome, is a modifiable risk factor responsible for a high burden of disability and death [1]. Hypertension patients may have no obvious symptoms, but long-term high blood pressure will burden the arteries and cause ventricular hypertrophy, endangering the critical organs such as the heart, brain, and kidney [2,3]. Most of the antihypertensive drugs belong to diuretics, adrenergic receptor blockers, calcium channel blockers, and angiotensin converting enzyme (ACE) inhibitors. Food-derived antihypertensive peptides, a specific class of micro-molecule peptides, can reduce blood pressure with many attractive advantages. They have impressive performance while causing no excessive reduction in blood pressure
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