Activity prediction and molecular mechanism of bovine blood derived angiotensin I-converting enzyme inhibitory peptides.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 25768442.
- Also identified by DOI 10.1371/journal.pone.0119598 and PMC identifier 4358945.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
Abstract
Development of angiotensin I-converting enzyme (ACE, EC 3.4.15.1) inhibitory peptides from food protein is under extensive research as alternative for the prevention of hypertension. However, it is difficult to identify peptides released from food sources. To accelerate the progress of peptide identification, a three layer back propagation neural network model was established to predict the ACE-inhibitory activity of pentapeptides derived from bovine hemoglobin by simulated enzyme digestion. The pentapeptide WTQRF has the best predicted value with experimental IC50 23.93 μM. The potential molecular mechanism of the WTQRF / ACE interaction was investigated by flexible docking.
Medical subject headings
- Angiotensin-Converting Enzyme Inhibitors
- Computational Biology
- Hemoglobins
- Oligopeptides
- Peptidyl-Dipeptidase A