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Interrogating Ligand: Target Interactions Using Back-Scattering Interferometry Yields Mechanistic Insight and Aids in Compound Prioritization
Layton Harris Smith, PhD
Wednesday, February 3, 2016
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Chapters
Introduction
Cardioprotective effects of apelin
Apelin and its receptor (APJ)
Apelin maintains cardiac function in a mouse model of heart failure
uHTS for novel small molecule APJ agonists
APJ agonist uHTS stats
APJ Agonist Chemistry Summary
SBI-’692 is a potent small molecule agonist of APJ
SBI-’692 increases hiPSC-derived cardiac myocyte contractility
SBI-’692 increases contractility but not heart rate in vivo
APJ Agonists do not recapitulate
SBI-’692 is selective for APJ
Lead compounds compete for Ap13 binding
Back-scattering interferometry
Direct Ap13:APJ interaction as measured by BSI
Label-free ligand : target interaction analysis by BSI
Ligand mechanistic discrimination
Ap13 exhibits classic 2-state binding mode
GTPP(CH3)P reveals unique binding mode of SBI-692
Revised APJ agonist
Summary
Acknowledgments
Thank You
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