Phenolic-protein interactions: insight from in-silico analyses – a review

Abstract Phenolic compounds are ubiquitous plant secondary metabolites that possess various biological activities and known to interact with proteins, altering their structure properties. Therefore, interactions between these proteins has gained increasing attention due potential benefits human health for exploitation by the food industry. can form complexes via covalent linkages and/or non-covalent through hydrophobic, electrostatic, van der Waals forces hydrogen bonding. This review describes possible mechanisms of phenol-protein complex formation, physiological action important in industry, outcomes terms molecular docking simulation analysis. The conformational changes protein upon binding polyphenols lead folding or unfolding molecules, forming insoluble soluble complexes. concentration polyphenols, weight structure, ions/cofactors conditions system determine precipitation solubilization complex, affecting nutritional functional properties as well bioactivities. In this regard, studies phenolic-protein allows comprehensive virtual screening competitive/non-competitive site-specific/non-specific conjugation phenolics different targets facilitates understanding observed effects. analysis flavonoids enzymes milk indicated application producing nutraceuticals foods. Thus, combining experimental techniques is vital better reactions take place during digestion engineer manufacture novel ingredients desirable pharmacological additives. Graphical