ArticleInternational journal of molecular sciences2020
Whey-Derived Peptides Interactions with ACE by Molecular Docking as a Potential Predictive Tool of Natural ACE Inhibitors.
Article in International journal of molecular sciences, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 papers.
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Who cites it
27 citing papers in PubMed, 66 citations in OpenAlex.
- Peptidomics-guided 3D structural-mechanistic investigation of bovine colostrum peptides reveals multi-targetedFood chemistry: X · 2026Article
- Valorization of Whey into a Bioactive Hydrolysate with ACE-Inhibitory Activity and Food Application Potential.Foods (Basel, Switzerland) · 2026Article
- Inhibition Mechanism, Multi-Target Regulation, and Protective Effects of Camel Casein ACE-Inhibitory Peptide on HUVECs Cells.Nutrients · 2026Article
- From Cheese Whey to Functional Ingredients: Upcycling Whey Proteins for Cardiovascular and Immunomodulatory Health-Evidence Mapping and Perspectives from Portugal.Foods (Basel, Switzerland) · 2026Review
- A Review of Current Computational Tools for Peptide-Protein Docking.Journal of computational chemistry · 2026Review
- Whey Protein Enzymatic Breakdown: Synthesis, Analysis, and Discovery of New Biologically Active Peptides in Papain-Derived Hydrolysates.Molecules (Basel, Switzerland) · 2025Article
- Screening of Potential Angiotensin-Converting Enzyme-Inhibitory Peptides in Squid (Marine drugs · 2025Article
- Deep learning-based discovery of compounds for blood pressure lowering effects.Scientific reports · 2025Article
- Fermented beetroot modulates gut microbial carbohydrate metabolism in prediabetes and prevents high-fat diet induced hyperglycemia in a prediabetic model.Current research in food science · 2025Article
- Molecular docking analysis of pyrrole derivatives with the human epidermal growth factor receptor 2: Combating breast cancer.Bioinformation · 2025Article
- Investigation of the Interaction Between Angiotensin-Converting Enzyme (ACE) and ACE-Inhibitory Tripeptide from Casein.International journal of molecular sciences · 2024Article
- Bioactive milk peptides: an updated comprehensive overview and database.Critical reviews in food science and nutrition · 2024Review
- Comparison of Amino Acid Profile, ACE Inhibitory Activity, and Organic Acid Profile of Cow and Goat Yogurts Produced with Lactobacillus acidophilus LA-5, Bifidobacterium animalis subsp. lactis BB-12, and Classical Yogurt Culture.Probiotics and antimicrobial proteins · 2024Article
- From Sea to Lab: Angiotensin I-Converting Enzyme Inhibition by Marine Peptides-Mechanisms and Applications.Marine drugs · 2024Review
- Functional Peptides from Yak Milk Casein: Biological Activities and Structural Characteristics.International journal of molecular sciences · 2024Review
- The first bioactive (angiotensin-converting enzyme-inhibitory) peptide isolated from pearl matrix protein.Heliyon · 2024Article
- Antioxidant and Angiotensin-Converting Enzyme Inhibitory Activity of Faba Bean-Derived Peptides AfterJournal of agricultural and food chemistry · 2024Article
- Molecular docking analysis of pyrrole derivatives with different breast cancer targets.Bioinformation · 2024Article
- Article
- Structure Characterization and Antihypertensive Effect of an Antioxidant Peptide Purified from Alcalase Hydrolysate of Velvet Antler.Food science of animal resources · 2023Article
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Several milk/whey derived peptides possess high in vitro angiotensin I-converting enzyme (ACE) inhibitory activity. However, in some cases, poor correlation between the in vitro ACE inhibitory activity and the in vivo antihypertensive activity has been observed. The aim of this study is to gain insight into the structure-activity relationship of peptide sequences present in whey/milk protein hydrolysates with high ACE inhibitory activity, which could lead to a better understanding and prediction of their in vivo antihypertensive activity. The potential interactions between peptides produced from whey proteins, previously reported as high ACE inhibitors such as IPP, LIVTQ, IIAE, LVYPFP, and human ACE were assessed using a molecular docking approach. The results show that peptides IIAE, LIVTQ, and LVYPFP formed strong H bonds with the amino acids Gln 259, His 331, and Thr 358 in the active site of the human ACE. Interestingly, the same residues were found to form strong hydrogen bonds with the ACE inhibitory drug Sampatrilat. Furthermore, peptides IIAE and LVYPFP interacted with the amino acid residues Gln 259 and His 331, respectively, also in common with other ACE-inhibitory drugs such as Captopril, Lisinopril and Elanapril. Additionally, IIAE interacted with the amino acid residue Asp 140 in common with Lisinopril, and LIVTQ interacted with Ala 332 in common with both Lisinopril and Elanapril. The peptides produced naturally from whey by enzymatic hydrolysis interacted with residues of the human ACE in common with potent ACE-inhibitory drugs which suggests that these natural peptides may be potent ACE inhibitors.
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