Induced Fit Docking (IFD) is preferred for phytochemicals because it accounts for both ligand and receptor flexibility, allowing more accurate predictions of binding interactions. Phytochemicals often induce conformational changes in the target protein, and IFD captures these changes, improving the accuracy of binding affinity and interaction predictions. This dynamic approach is essential for understanding complex phytochemical-target interactions.
This approach offers more accurate and realistic predictions of ligand binding affinity, making it useful in drug design, virtual screening, and the study of protein-ligand interactions. Induced fit docking is performed basically for protein - ligand flexibility . Other than this protein’s conformation is allowed to adjust or "induce" changes in its shape upon ligand binding .This reflects the dynamic nature of proteins
Induced fit docking is preferred for phytochemicals because it accounts for the flexibility of both the protein receptor and the ligand (phytochemical). Unlike rigid docking, induced fit docking allows the protein to adapt its conformation upon ligand binding, which increases the accuracy of predicting binding affinity and interactions. This is particularly important for phytochemicals.
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