Dresden 2011 – scientific programme
Parts | Days | Selection | Search | Updates | Downloads | Help
BP: Fachverband Biologische Physik
BP 8: Posters: Protein Structure \& Dynamics
BP 8.9: Poster
Monday, March 14, 2011, 17:15–20:00, P3
Molecular docking study of histone deacetylases 1 and 3 in interaction with the benzamide histone deacetylase inhibitor MS-275 — •Davoud Pouladsaz1, Azadeh Ebrahimi2, and Michael Schreiber1 — 1Institut für Physik, Technische Universität Chemnitz — 2Institut für Hirnforschung, Eberhard Karls Universität Tübingen
Numerous studies have shown that abnormal HDAC activity is associated with oncogenesis. On the other hand, HDAC inhibition has been reported in several studies to induce tumor cell differentiation, apoptosis, and cell cycle arrest. In this scheme, HDACs are considered potential targets for cancer therapy. One of the novel HDAC inhibitors is MS-275, a benzamide derivative with in vivo antitumor activity and selectivity against HDAC1 and HDAC3. However, the precise molecular and cellular mechanisms by which MS-275 acts to modulate HDAC activity have yet to be determined. In this work, we use molecular docking techniques to identify the active sites of HDAC1 and HDAC3 in interaction with MS-275. The results provide template structures for further drug experiments.