Abstract:Heat shock protein 90 (HSP90) regulates the correct folding of nascent protein in tumor cells. Through the ATPase domain of HSP90, inhibition of its activity is a manipulation for anticancer treatment. Two series of anticancer compounds, flavonoids and YC-1 derivatives, were employed in this study. The reference ligand in the docking simulation showed the significant RMSD of 0.87 with respect to the template (PDB code: 1uy7). Six scoring functions (DockScore, PLP1, PLP2, LigScore1, LigScore2, and PMF) were emp… Show more
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