Figure 4

(A) Time progression graph of radius of gyration (Rg) during simulation LdmtPRI1 (black), LdmtPRI1-benfotiamine (purple) and LdmtPRI1-capecitabine (brown). (B) H-bonds within the protein–ligand complexes generated during simulation, LdmtPRI1-benfotiamine (purple) and LdmtPRI1-capecitabine (brown). (C) Solvent-accessible surface area (SASA) results of LdmtPRI1 (black) LdmtPRI1-benfotiamine (purple)& LdmtPRI1-capecitabine (brown).