CHED 1311 |
| C60 fullerene has been shown to inhibit the HIV-1 protease through interactions with its active site. However, the low solubility of Buckminister fullerene in water limits the ability of C60 to act as viable protease inhibitors in the human body. This work utilizes Macromodel and the OPLS2005 force field to model the energetics and interactions of potential HIV-1 protease inhibitors that are similar to C60 fullerene, but more soluble in water. In addition, the program Maestro was utilized to determine and compare the physical characteristics, such as surface area, of C60 and the potential inhibitors. |
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Undergraduate Research Poster Session: Medicinal
2:00 PM-4:00 PM, Monday, March 26, 2007 Hyatt Regency Chicago -- Riverside Center, Poster
Division of Chemical Education |