Raul Alvarez
Chemical Computing Group
+1 514 393-1055

MedChem by Design 2017

October 5, 2017  |   Cambridge, MA  |  Le Méridien Cambridge-MIT



CCG is hosting a 1-day meeting focusing on benefits of computer-aided ligand and structure-based drug design techniques for medicinal chemists. Short hands-on workshops in the morning will be followed by scientific presentations in the afternoon. The meeting will end with a social reception. Please note that space is limited so early registration is recommended.

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

There is no cost to attend but pre-registration is required as seats are limited. Registrations will be processed and accepted on a first-come, first-serve basis.

  • Alain Deschenes, Chemical Computing Group
  • Igor Mochalkin, EMD Serono
  • Michael Hale, Ra Pharmaceuticals
  • Raul Alvarez, Chemical Computing Group
Le Méridien Cambridge-MIT
20 Sidney Street
Cambridge, MA 02139