Virtual screening and characteristics of novel umami peptides from porcine type I collagen

Yuxiang Gu; Jingcheng Zhang; Yajie Niu; Baoguo Sun; Zunying Liu; Xiangzhao Mao; Yuyu Zhang

doi:10.1016/j.foodchem.2023.137386

Virtual screening and characteristics of novel umami peptides from porcine type I collagen

Food Chem. 2024 Feb 15:434:137386. doi: 10.1016/j.foodchem.2023.137386. Epub 2023 Sep 9.

Authors

Yuxiang Gu¹, Jingcheng Zhang¹, Yajie Niu², Baoguo Sun¹, Zunying Liu³, Xiangzhao Mao³, Yuyu Zhang⁴

Affiliations

¹ Key Laboratory of Geriatric Nutrition and Health (Beijing Technology and Business University), Ministry of Education, Beijing 100048, China; Food Laboratory of Zhongyuan, Beijing Technology and Business University, Beijing 100048, China; Key Laboratory of Flavor Science of China General Chamber of Commerce, Beijing Technology and Business University, Beijing 100048, China.
² Key Laboratory of Geriatric Nutrition and Health (Beijing Technology and Business University), Ministry of Education, Beijing 100048, China.
³ College of Food Science and Engineering, Ocean University of China, Qingdao 266100, China.
⁴ Key Laboratory of Geriatric Nutrition and Health (Beijing Technology and Business University), Ministry of Education, Beijing 100048, China; Food Laboratory of Zhongyuan, Beijing Technology and Business University, Beijing 100048, China; Key Laboratory of Flavor Science of China General Chamber of Commerce, Beijing Technology and Business University, Beijing 100048, China. Electronic address: zhangyuyu@btbu.edu.cn.

PMID: 37716151
DOI: 10.1016/j.foodchem.2023.137386

Abstract

This study aimed to rapidly and precisely discover novel umami peptides from porcine type I collagen using virtual screening, sensory evaluation and molecular docking simulation. Porcine type I collagen was hydrolyzed in silico and six umami peptide candidates (CN, SM, CRD, GESMTDGF, MS, DGC) were shortlisted via umami taste, bioactivity, toxicity, allergenicity, solubility and stability predictions. The sensory evaluation confirmed that these peptides exhibited umami taste, with CRD, GESMTDGF and DGC displaying higher umami intensity and significant umami-enhancing effects in 0.35% sodium glutamate solution. Molecular docking predicted that Ser 276/384/385 of T1R1 and Asn68, Val277, Thr305, Ser306, Leu385 of T1R3 may also play critical roles in binding umami peptides. The umami taste of peptides may be perceived mainly through the formation of hydrogen bonds with the hydrophilic amino acids of T1R1/T1R3. This work provided a robust procedure and guidance to develop novel umami peptides from food byproducts.

Keywords: In silico hydrolysis; Molecular docking; Porcine type I collagen; Sensory evaluation; Umami peptide; Virtual screening.