A Combination of an Antimitotic and a Bromodomain 4 Inhibitor Synergistically Inhibits the Metastatic MDA-MB-231 Breast Cancer Cell Line

Figure 2

Binding energy of ITH-47 and JQ1 against BRD2(1 and 2) and BRD4(1 and 2) (a) and the binding pose of the lowest energy pose for ITH-47 against BRD4(1) (b). The binding energies of ITH-47 and JQ1 were significant for BRD2(1) and BRD4(1 and 2) (a). A low-energy conformation of the molecular dynamics simulation of ITH-47 bound to BRD4(1) revealed a ligand, protein, and water network between ASN52, LEU51, and the ligand.

(a)

(b)