These in silico studies indicated a clear trend between the binding profiles of the selected compounds, and the distance between the methoxy oxygen atom of the ligand and the ARG878 residue in the PARP-1 binding pocket ( Table 2 ).
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Altering Nitrogen Heterocycles of AZD2461 Affords High Affinity Poly(ADP-ribose) Polymerase-1 Inhibitors with Decreased P-Glycoprotein Interactions.
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