Including: ExcelFile_Sheet_1: Molecular docking score Means and SEM used, and triplicate data points used, for Fig 1 and Table 2. One way ANOVA followed by Dunnet posthoc test made via using GraphPad Prism 10.4.2.

ExcelFile_Sheet_2: Molecular Docking contacts DPol and ligands showing type of bond, chain of the protein used and its interacting residues, Energy, (interaction energy in kj/mol), Dist (distance between interaction, Area (the area on the contact surface), Atom A and B (the atoms in the residue and ligands involved in the contact, respectively). ExcelFile_Sheet_3: Molecular Docking contacts DPol and ligands showing type of bond, chain of the protein used and its interacting residues, Energy, (interaction energy in kj/mol), Dist (distance between interaction, Area (the area on the contact surface), Atom A and B (the atoms in the residue and ligands involved in the contact, respectively). ExcelFile_Sheet_4: RMSD Values calculated during Molecular Dynamic Simulation (MDS) over the period of 20ns for the DPol_ligand complexes. ExcelFile_Sheet_5: RMSD Values calculated during Molecular Dynamic Simulation (MDS) over the period of 20ns for the A42R_ligand complexes. ExcelFile_Sheet_6: RMSF values calculated during Molecular Dynamic Simulation (MDS) over the period of 20ns for the DPol_ligand complexes. ExcelFile_Sheet_7: RMSF values calculated during Molecular Dynamic Simulation (MDS) over the period of 20ns for the A42R_ligand complexes. ExcelFile_Sheet_8: DPol bound ligands properties. ExcelFile_Sheet_9: A42R bound ligands properties. (XLSX)