Screening milk-derived antihypertensive peptides using quantitative structure activity relationship (QSAR) modelling and in vitro/in vivo studies on their bioactivity

Learnings from quantitative structure–activity relationship (QSAR) studies with respect to food protein-derived bioactive peptides: a review

“…30,32,33,45,46 In particular, the C 1 (C-terminal) amino acid of peptides is thought to have a major effect on the in vitro ACE inhibitory properties of peptides. Overall, most QSAR studies have indicated that the presence of aliphatic hydrophobic and small amino acids (Ala, Trp, Pro, Phe, Gly, Cys, Leu and Ile) at the C 1 position of peptides was a good predictor for potent in vitro ACE inhibitory activity.…”

“…18,27,32 The peptide database may be restricted to sequences which originate from a single protein 26 or a group of proteins found within certain species (e.g., Homo sapiens, Bos taurus, etc.). 33 In addition to the peptide origin, the dataset can also be made of peptides having a dened amino acid length or incorporate peptides having various amino acid lengths. 24 In other instances, QSAR strategies have focused on peptide analogs of a so-called "lead peptide".…”

“…In a few instances, QSAR studies have led to the identication of novel ACE inhibitory peptides following conrmatory in vitro studies with synthetic peptides. 30,33,51 Novel ACE inhibitory peptides, Tyr-Phe and LeuArg-Phe, being 2-10 times more potent than the well-known ACE inhibitory lactotripeptide Ile-Pro-Pro, were reported.…”

“…Similarly, Ile-Val-Pro (IC 50 33 Huang, et al 51 specically applied QSAR to Cterminal Pro containing tripeptides and successfully identied two novel ACE inhibitory peptides, Ile-Ile-Pro and Ile-Val-Pro having IC 50 values of 1.39 and 1.58 mM, respectively.…”

“…33 Ile-Val-Pro and ValIle-Pro were administered to spontaneously hypertensive rats (SHRs) at a dose of 0.75 mg kg À1 . Interestingly, these treatments resulted in a signicantly higher reduction ($3 times, p < 0.05) in systolic blood pressure (SBP) than Ile-Pro-Pro, when evaluated at the same dose.…”