Identification of an ice recrystallization inhibiting albumin protein from wheat flour and insights from molecular dynamics simulation

Yuan Y., Smith M. D., Vural D., Krishnan H. B., Dia V. P., Wang T.

Food Hydrocolloids, cilt.169, 2025 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 169
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1016/j.foodhyd.2025.111662
  • Dergi Adı: Food Hydrocolloids
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, BIOSIS, CAB Abstracts, Chemical Abstracts Core, Chimica, Food Science & Technology Abstracts, INSPEC, Veterinary Science Database
  • Anahtar Kelimeler: Alpha-amylase inhibitor, Ice recrystallization inhibition, Molecular dynamics simulation, Wheat albumin
  • Marmara Üniversitesi Adresli: Hayır

Özet

Biobased antifreeze agents, particularly those derived from food sources, are increasingly in demand for their applications in food and biomedical industries. This study focuses on the extraction, purification, and identification of amylase trypsin inhibitors from wheat flour, which demonstrate ice recrystallization inhibition (IRI) activity. After Osborne fractionation and gel filtration chromatography of the albumin fraction, the isolated proteins from the wheat albumin fraction exhibited high IRI activity. Then, the fractions displaying the most potent IRI activity, specifically F1 and F2 fractions, were subsequently analyzed by LC/MS, leading to the identification of 26 proteins. From these, two dominant proteins, dimeric alpha-amylase inhibitor (AAI) and alpha-amylase inhibitor WDAI-3 (WDAI-3) were selected based on abundance and homology for detailed molecular dynamic (MD) simulations under freezing conditions. Trypsin inhibitor from soybean, which lacks IRI activity but shares similar molecular weight and biochemical properties was used as a control. The study found that the WDAI-3 exhibits the highest IRI activity, while the AAI and soybean protein show negligible activity. Therefore, MD results provide strong support for the experimental observations.