Bio-inspired Targeted Screening of Calcium-Chelating Peptides from Embryonic Egg White Combined Using Separation-Purification Approach, Peptidomics Technology and Molecular Docking

• Calcium chelating peptides were prepared from embryonic egg white based on bionics • Peptidomics and separation-purification were combined used to screen EEW-CCPs • E and R were identified as active amino acids for EEW-CCPs screened using IMAC • R and S were identified as chelating sites for EEW-CCPs screened via peptidomics Inspired by biomimetic concepts, this study aimed to screen potential calcium-chelating peptides (CCPs) from embryonic egg white (EEW) using an integrated approach combining separation-purification methods, peptidomics technology, and molecular simulation. Through separation-purification approach and molecular docking, three key skeleton CCPs- “MAQRASDLF,” “VVLRQDLMA,” and “LAEVSKPHAE” were identified from EEW (EEW-CCPs). These peptides, containing amino acids such as Glu and Arg, demonstrated strong calcium-binding capability. Additionally, using peptidomics combined with molecular docking, three vital EEW-CCPs - “GRCELAAAMKR,” “AEVDCSRFPN,” and “CRPTVQAQST” - containing amino acids like Arg and Ser were screened and shown to possess strong calcium chelation properties. This study provides both novel insights and a systematic comprehensive approach for screening active CCPs from food sources.