GANESH (EMORY UNIVERSITY) - MCSP - HIT TO LEAD CHEMISTRY

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In performance of work under this Task Order, the Contractor shall provide a full service facility and staff who shall support a medicinal chemistry discovery program beginning at the Hit-toLead (HTL) Chemistry phase to develop structure activity relationship (SAR) analysis and design, synthesis, in vitro absorption, distribution, metabolism, excretion and toxicology (ADMET), computational chemistry/Computer Aided Drug Discovery (CADD), and compound logistics of storage and shipping to support the Contributor Ganesh in developing a novel therapeutic effective in treating post-seizure cognitive deficits. This will be achieved by advancing the SAR/SPR of their small molecule heterocyclic starting compound utilizing their assays and in vitro ADMET to identify novel, selective inhibitors of the target enzyme that are directed at treating post-seizure cognitive deficits. Our drug discovery approach will be to synthesize novel ligands based on the heterocyclic scaffold that are potent inhibitors. Candidate molecules will undergo profiling to assess criteria specifically related to the physicochemical properties of compounds in a therapeutic setting, including enzyme selectivity and tests to determine potential interactions with key metabolic enzyme systems. The goal is to advance the project to go/no go decisions with regard to progressing to the optional Lead Optimization phase.