Research Progress of Molecular Docking Technology in Structure-Activity Relationship of Bioactive Peptides
Many physiological functions are present in bioactive peptides,such as converting enzyme inhibitory activity,antioxidant activity,antifreeze activity,dipeptidyl peptidase inhibitory activity,and antiviral activity.The clarity of the relationship between the structure and function of active peptides is a prerequisite for their development and application.Molecular docking is a virtual screening method based on substance structure,mainly used to explore the interaction between active peptides and target proteins or small molecular ligands.Molecular docking and other information technologies play an important role in deeply analyzing the intrinsic relationship between the structure and functional activity of bioactive peptides,which can assist in improving the development efficiency of bioactive peptides.The application progress of molecular docking technology in the research of angiotensin I converting enzyme(ACE)inhibitory peptides,antioxidant peptides,and antifreeze peptides is mainly reviewed in this article,with the aim of providing reference for the research and development of active peptides and the application of molecular docking technology.
molecular dockingbioactive peptidestructure-activity relationshipsite of action
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