Synthesis, Anticancer Assessment, and Molecular Docking of Novel Chalcone-Thienopyrimidine Derivatives in HepG2 and MCF-7 Cell Lines

Figure 11

Binding mode/interactions of DRO (shown as sticks colored by element) into Bcl-2/Bcl-xL (pdb: 2W3L): (a) Bcl-2/Bcl-xL showing the binding site of DRO; (b) 3D binding mode of DRO into Bcl-2, a receptor shown as the H-bond surface; (c) 3D binding mode of the redocked DRO overlaid with the cocrystallized ligand (yellow sticks) into the active site of Bcl2; (d) 2D binding mode of the cocrystallized DRO showing different types of interactions with amino acids in Bcl2.