%0 Journal Article
%T Design and Molecular Docking Study of Antimycin A<sub>3</sub> Analogues as Inhibitors of Anti-Apoptotic Bcl-2 of Breast Cancer
%A Ade Arsianti
%A &nbsp Fadilah
%A &nbsp Kusmardi
%A Hiroki Tanimoto
%A Tsumoru Morimoto
%A Kiyomi Kakiuchi
%J Open Journal of Medicinal Chemistry
%P 79-86
%@ 2164-313X
%D 2014
%I Scientific Research Publishing
%R 10.4236/ojmc.2014.43006
%X In this paper, we report the design and moleculardocking study of analogues of antimycin A<sub>3</sub> as inhibitors of anti-apoptotic Bcl-2 of breast cancer. Twenty designed compounds and the original antimycin A<sub>3</sub> 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 <img src=\"Edit_9d852483-7f0b-4307-a8fe-d2447207615c.bmp\" alt=\"\" height=\"9\" width=\"15\" />G binding energy, better affinity and stronger hydrogen bonding interactions to the active site of Bcl-2 than antimycin A<sub>3</sub>. Among those five top-ranked compounds, analogue compounds 11 and 14, which have an 18-membered tetralactone core and 18-membered tetraol core, respectively, exhibited the strongest hydrogen bond interaction, formed high stability conformation, and demonstrated the greatest inhibitory activity on the catalytic site of Bcl-2.
%K Design
%K Docking
%K Antimycin A&lt
%K sub&gt
%K 3&lt
%K /sub&gt
%K Analogue
%K Bcl-2
%K Breast Cancer
%U http://www.scirp.org/journal/PaperInformation.aspx?PaperID=49948