Unveiling the calcium-sensing receptor mechanism underlying kokumi perception in Wuding chicken soup: An integrated machine learning and molecular dynamics simulations

Abstract

Wuding chicken soup is renowned for its delicious and rich flavor. By using multiple machine learning algorithms, the key features that determine the taste of kokumi were identified, and thus four kokumi peptides were screened and synthesized. However, their potential as kokumi supplements remains unclear. To investigate their taste characteristics, sensory evaluation and electronic tongue analysis were performed. Additionally, circular dichroism spectroscopy (CD) and molecular dynamics simulations (MD) were employed to predict the secondary structures of these peptides and their interactions with the calcium-sensing receptor (CaSR). The kokumi thresholds were determined to be 0.12–0.16 mmol/L in model chicken soup and 0.06–0.09 mmol/L in an MSG/NaCl model solution, demonstrating their ability to enhance umami, saltiness, and sweetness. These peptides show promise as taste enhancers in the development of salt-reduced, sugar-reduced, and umami-enhanced food products.