STRUCTURAL STUDIES OF NOVEL ENZYME TARGETS FOR DRUG DESIGN

Cornell University, Ithaca NY

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Abstract

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. We have focused on several enzymes in the pyrimidine and purine biosynthesis pathway as potential enzyme targets for antibiotic drug discovery. The crystal structures of these targets will enable in silico compound library docking and molecular dynamics studies to identify novel inhibitors. Coupled with high-throughput screening of compound libraries, the crystal structures will identify key interactions to further enable chemical modification of potential lead compounds.