CHED 1289 |
| Histone deacetylase inhibitors modulate transcriptional activity and promote apoptosis and differentiation within the cell. Because of this, HDAC inhibitors are being widely investigated as a proposed treatment of cancer. HDAC inhibitors function by binding to an enzyme's active site and inhibiting the deacetylation of lysine residues on target substrates. Using the program, AMPAC, structures of several HDAC inhibitors, including Trichostatin A and “proposed inhibitor” were built and optimized. These structures were then used to generate a QSAR model using the program, CODESSA, to predict biological activity. This model was then compared to previous docking studies used to predict binding energies, and literature values for model validation. |
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Undergraduate Research Poster Session: Medicinal Chemistry
2:00 PM-4:00 PM, Monday, April 7, 2008 Morial Convention Center -- Hall A, Poster
Division of Chemical Education |