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In this paper, we report the design and moleculardocking study of analogues of antimycin A 3 as inhibitors of anti-apoptotic Bcl-2 of breast cancer. Twenty designed compounds and the original antimycin A 3 were docked based on their interaction with breast tumor receptor binding target Bcl-2. The docking resulted in the five top-ranked compounds, namely, compounds 11, 14, 15, 16, and 20, which have a lower ∆G binding energy, better affinity and stronger hydrogen bonding interactions to thedoi:10.4236/ojmc.2014.43006 fatcat:uah6ai2uujgyhm2elgo66mnyju