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The negative electrostatic potential of the coordination between calcium and carboxyl/oxygen group in calcium-peptide
Mengqi Jian1, Kuaitian Wang1, Yan Wang2
1College of Life Science, Yantai University, Yantai, Shandong 264000, China; Beijing Key Laboratory of Functional Food from Plant Resources, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing 100083, China.
Abstract:
The coordination electrostatic potential has significantly influenced the binding energy of calcium-peptide coordination complexes. However, its impact on calcium bioavailability is unclear. A calcium-binding peptide (CBP) DEDEQIPSHPPR, purified from soybean yogurt was selected. The study selected tetrapeptide residues of acidic amino acids that play an important role in CBP and designed sixteen tetrapeptides rich in carboxyl oxygen atoms to investigate the influence of electrostatic potential on calcium-peptide binding. The results indicated that DEDE exhibited the strongest binding energy (-375.27 kcal/mol) and binding capacity (464.11 ± 2.14 mg/g) with calcium ions compared to other peptides. Moreover, DEDE also increased intracellular calcium concentration the most, being 2.04 times higher than CaCl2. Calcium ions coordinated with carboxyl oxygen atoms possessing negative electrostatic potential, which correlated positively with the bioavailability of calcium ions. This electrostatic potential analysis provides a theoretical basis for developing and screening bioactive peptides with high calcium bioavailability.
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