基于计算机技术筛选多活性蛋黄蛋白肽OA

A rapid integrated screening system was established to improve the efficiency and reduce the cost of selecting multifunctional egg yolk peptides.Building upon the DPP4-inhibitory peptides previously screened from egg yolk proteins,the computational tools AnOxPePred,AHTpin,and BIOPEP-UWM were applied to screening egg yolk peptides bioactivities.Antioxidant,angiotensin-converting enzyme(ACE)inhibitory,and α-glucosidase(α-GC)inhibitory activities of egg yolk peptides were evaluated in a multidimensional manner,and two peptides,RYHFPEGL(termed RL8)and YRLRF(termed YF5),were selected.Bioactivities of RL8 and YF5 were validated by in vitro assays,and both peptides were shown to exhibit pronounced multiactivity.Radical scavenging activity against DPPH and ABTS was slightly higher for RL8(DPPH IC50=2.67±0.11 mmol/L;ABTS IC50=1.61±0.30 mmol/L)than for YF5(DPPH IC50=3.13±0.12 mmol/L;ABTS IC50=1.94±0.13 mmol/L).ACE and αGC inhibitory potencies were also higher for RL8(ACE IC50=62.45±4.11 μmol/L;αGC IC50=0.67±0.07 mmol/L)than for YF5(ACE IC50=78.16±2.99 μmol/L;αGC IC50=0.81±0.50 mmol/L).Finally,molecular docking technology was employed to elucidate the binding mechanism between the target peptides and the target protein at the molecular level.RL8 and YF5 were found to tightly bind to the target enzyme through hydrophobic interactions,hydrogen bonds,and electrostatic interactions.This study not only enriches the database of egg yolk-derived bioactive peptides in terms of diversity and activity but also provides a reference approach for exploring multiple bioactivities of peptides from other sources.