Identification of umami peptides based on virtual screening and molecular docking from Atlantic cod (Gadus morhua).

Umami peptides have currently become the research focus in the food umami science field and the key direction for umami agent development. This is because umami peptides have good processing characteristics, umami and nutritional values. We here used virtual screening (including online enzymolysis through ExPASy PeptideCutter, bioactivity screening using the PeptideRanker, toxicity and physicochemical property prediction using Innovagen and ToxinPred software), molecular docking, and electronic tongue analysis to identify umami peptides generated from Atlantic cod myosin. Twenty-three putative umami peptides were screened from the myosin. Molecular docking results suggested that these 23 peptides could enter the binding pocket in the T1R3 cavity, wherein Glu128 and Asp196 were the main amino acid residues, and that hydrogen bonding and electrostatic interactions were the main binding forces. Twelve synthetic peptides tested on the electronic tongue exhibited umami taste and a synergistic effect with monosodium glutamate (MSG). Among them, GGR, AGCD, and SGDAW had higher umami intensities than the other peptides, while SGDAW and NDDGW exhibited stronger umami-enhancing capabilities in 0.1% MSG solution. This study offers a method for the rapid screening of umami peptides from marine protein resources and places the foundation for their application in the food industry.

Identification, molecular docking, and protective effects on H2O2-induced HEK-293 cell oxidative damage of antioxidant peptides from Pacific saury (Cololabis saira).

We identified novel antioxidant peptides from Pacific saury (Cololabis saira). Enzymatic hydrolysates were isolated, purified, and identified by ultrafiltration, gel chromatography, reverse phase high-performance liquid chromatography (RP-HPLC), and matrix-assisted laser desorption/ionization-time of flight (MALDI-TOF) mass spectrometry (MS). Twenty putative peptides were identified from five components of HPLC, among which sixteen peptides were predicted to have good water solubility and non-toxicity by online tools. Fifteen peptides were successfully docked with myeloperoxidase, and we observed that Arg31, Arg323, and Lys505 played a key role in the antioxidant mechanism, with van der Waals forces and conventional hydrogen bonds as important interaction forces. Six identified peptides with lower CDOCKER energy values were synthesized to verify the antioxidant activity, and the results showed that the synthetic peptide QQAAGDKIMK displayed the strongest 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging rate (31.05 ± 0.27%) and reducing power (0.29 ± 0.01). The synthetic peptide KDEPDQASSK at a concentration of 300 µg mL-1 exhibited the strongest protective effects on H2O2-induced oxidative damage of HEK-293 cells, with cell viability and ROS level of 0.38 ± 0.03 and 0.08 ± 0.01, respectively.

Effects of ultrasound pretreatment at different powers on flavor characteristics of enzymatic hydrolysates of cod (Gadus macrocephalus) head.

To make better use of cod head (Gadus macrocephalus), a by-product of fish processing, the effects of ultrasound pretreatment on the enzymatic properties and volatile compounds of cod head enzymatic hydrolysates were investigated. The results demonstrated that ultrasound pretreatment at 150-600 W had a positive effect cod head enzymatic hydrolysates. The soluble peptides content of the enzymatic hydrolysates reached the highest value of 5.31 ± 0.16 mg/mL at the ultrasound power level of 450 W, and the content of peptide molecules < 3-kDa was up to 93.96%. The type and relative content of volatile compounds, especially aldehydes, alcohols, and ketones, also increased with the increase the ultrasound power. The electronic tongue results indicated that ultrasound pretreatment reduced bitterness and astringency. The electronic nose results indicated that the hydrogen- and alkane-containing odor components in the hydrolyzed liquid after ultrasound pretreatment differed significantly from conventional enzymatic hydrolysates. In conclusion, ultrasound pretreatment may be applicable as a suitable technology to assist enzymatic hydrolysis of the cod head, and as such, promote the utilization of fish by-products.