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October 5, 2017
 
08:00-08:30
Morning Coffee
Registration (check-in and badge pick-up)
08:30-10:00
Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
10:00-10:30
Morning Break
10:30-12:00
Ligand-Based Drug Design and SAR Analysis
R-Group Profiles and Analysis / MOEsaic / MMP Analysis / Descriptor Calculations / Conformational Searching / Molecular Alignments / Pharmacophore Modeling and Searching / Diversity Analysis
12:00-13:00
Lunch Break
13:00-13:25
Registration (check-in and badge pick-up)
13:25-13:30
Opening Remarks
13:30-14:00
Discovery of M2951, a selective, covalent inhibitor of BTK for the treatment of autoimmune diseases 
Andreas Goutopoulos, Senior Director- Chemistry, EMD Serono, Inc.
14:00-14:30
Phenotypic screening for the discovery of novel small molecules and targets to treat neurodegenerative diseases 
Matt Lucas, Director of Chemistry, Yumanity Therapeutics
14:30-15:00
Discovery of the Potent and Selective, Broad Spectrum Fungal CYP51 Inhibitor VT-1598 
Chris Yates, Director of Medicinal Chemistry, Viamet Pharmaceuticals
15:00-15:30
MOEsaic: Application of Matched Molecular Pairs to Interactive SAR Exploration 
Al Ajamian, Director, Chemical Computing Group
15:30-16:00
Afternoon Break
16:00-16:30
Interdiction at a Protein-Protein Interface: Structure-Based Design of the Mcl-1 Inhibitor AMG 176 
Sean Brown, Principal Scientist, Amgen
16:30-17:00
Kinase Crystal Miner: An approach to repurposing 3D hinge binding fragments and its application to identifying Bruton Tyrosine Kinase inhibitors 
Jörg Bentzien, Principal Scientist, FORMA Therapeutics, Inc.
17:00-17:30
Dialing up a master metabolic regulator: AMPK activators for metabolic diseases 
Ravi Kurumbail, Research Fellow, Pfizer
17:30-18:00
Utilization of Structure-Based Design to Identify Novel, Covalent Inhibitors of T790M EGFR 
Edward J. Hennessy, Associate Principal Scientist, AstraZeneca
18:00-18:15
Closing Discussion
18:15-19:15
Social Reception