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Modeling Small Molecule‐RNA Interactions: Applications to HIV TAR RNA

The purpose of this project is to design an improved or novel inhibitor of HIV TAR RNA, and, in doing so, to optimize theoretical techniques for screening libraries against RNA targets. TAR RNA is found at the 5′ end of nascent messenger RNA in infected host cells. At the beginning of the HIV life cycle, the protein Tat binds to TAR and facilitates transcription. Because interruption of this interaction has been shown to prevent further HIV transcription, and thus replication, this complex has been identified as a potential drug target.