Surface plasmon resonance, molecular docking, and molecular dynamics simulation studies of lysozyme interaction with tannic acid.

ABSTRACT: Lysozyme (L_ZM) is an important enzyme in medicine and industry. Tannic acid (TA) is used in brewing, wine industry, and as a food flavor enhancer. In nutritional and food science, L_ZM interacts with TA, notably in wine and saliva. This study aimed to investigate the binding interaction between L_ZM and TA using surface plasmon resonance, molecular docking, and molecular dynamics simulation. Chicken egg white lysozyme (CEWL_ZM) was applied as a model protein. Tri-N-acetylchitotriose (NAG₃), the known inhibitor of CEWL_ZM, was used in the redocking experiments to determine the precise binding location within the complex. The average binding energies obtained from docking NAG₃ and tannic acid to the target structure of

SUBMITTER: Turkoglu EA 

PROVIDER: S-EPMC11521726 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature