Research Paper Volume 13, Issue 5 pp 6982—6998

Discovery of a novel AR/HDAC6 dual inhibitor for prostate cancer treatment

Design of Zeta55 as a dual inhibitor against AR and HDAC6. Top left, chemical structures of MDV310; top right, chemical structures of HDAC6 inhibitor HPOB; middle, chemical structure of Zeta55; bottom left, docking of AR with Zeta55 and Bicalutamide; bottom right, docking of HDAC6 with Zeta55 and HPOB. Proteins were presented in cartoon and small molecules were presented in stick. AR/Bicalutamide were colored in mega, Zeta55 was colored in cyan, HDAC6/HPOB were colored in green.

Figure 1. Design of Zeta55 as a dual inhibitor against AR and HDAC6. Top left, chemical structures of MDV310; top right, chemical structures of HDAC6 inhibitor HPOB; middle, chemical structure of Zeta55; bottom left, docking of AR with Zeta55 and Bicalutamide; bottom right, docking of HDAC6 with Zeta55 and HPOB. Proteins were presented in cartoon and small molecules were presented in stick. AR/Bicalutamide were colored in mega, Zeta55 was colored in cyan, HDAC6/HPOB were colored in green.