Molecular docking offers a vital tool for estimating the binding topologies and strengths of peptide-protein complexes. Investigating the interactions between peptides and proteins computationally is accomplished by docking. This technique guarantees the prediction of the strength of the binding, finds the particular sites where these interactions occur, and helps to identify the relevant residues. Understanding peptide-protein interactions in biological systems ( ) and developing peptide-based drugs depend on this knowledge. Finding the operational processes and possible therapeutic applications for peptides and proteins depends on understanding their interactions ( ). Therefore, programs including pepATTRACT ( ), FlexPepDock ( ), HADDOCK2 ( ) and PEP-SiteFinder ( ) have been utilised to comprehend the binding topologies and strengths of peptide-protein complexes.