Structural Transformation and Functional Improvement of Potato Protein-Gallic Acid Conjugates: Multispectroscopy and Molecular Dynamics Simulations.

ABSTRACT: Covalent modification of polyphenols effectively enhances functional properties of proteins. This study conjugated potato protein isolate (PPI) with gallic acid (GA) via an alkaline method to investigate structural and functional alterations. Successful conjugation was confirmed by a significant decrease in free amino and sulfhydryl groups, coupled with a marked increase in total phenolic content. Multispectroscopic analyses indicated a loosening of the secondary structure and notable changes in the tertiary conformation. Molecular dynamics (MD) simulations corroborated these findings, revealing that GA conjugation induced conformational expansion, improved structural stability, and enhanced surface hydrophilicity. These structural modifications led to substantial functional improvements i

SUBMITTER: Huang Z 

PROVIDER: S-EPMC12896807 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature