Raul Alvarez
Chemical Computing Group
+1 514 393-1055

MedChem by Design 2018

December 06, 2018  |   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.

December 6, 2018 
08:00-08:30Morning Coffee
Registration (check-in and badge pick-up)
08:30-10:00Workshop: Structure-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
10:30-12:00Workshop: 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
12:00-13:00Workshop Lunch
13:00-13:30Registration (check-in and badge pick-up)
13:30-13:35Opening Remarks
Alain Deschenes, Director of Scientific Services, Chemical Computing Group
13:35-14:05Of solvated pockets, magic methyl groups & compchem methods to tackle them 
Torsten Herbertz, Director, Computational Chemistry, FORMA Therapeutics
14:05-14:35Discovery of a GPR40 Superagonist – the Impact of α-Fluorination on the Aryl Propionic Acid 
Hui Huang, Senior Principal Scientist, Janssen
14:35-15:05Structure Based Optimization Of TYK2 Pseudokinases Inhibitors From A DNA Encoded Library 
Gang Yao, Drug Design and Selection, Medicinal Science & Technology, GlaxoSmithKline
15:05-15:35Structure-Based Predictions of CYP Selectivity, Reactivity, and Regioselectivity 
Michael Drummond, Scientific Applications Manager, Chemical Computing Group
15:35-16:05Afternoon Break
16:05-16:35MicroCycle: Re-investigating Early Medicinal Chemistry
Jonathan Grob, Scientist II, Novartis
16:35-17:05The Discovery of an IRAK4 Clinical Candidate from Fragment-Based Drug Design 
Frank Lovering, Director, Computational Chemistry, Pfizer
17:05-17:35Discovery of a Macrocyclic Peptide Inhibitor (BMS-986189) of Programmed Death-Ligand 1 (PD-L1) 
Paul Scola, Research Fellow, Bristol Myers Squibb
17:35-18:05Importance of Making Early Dose Predictions and Half-Life Optimization Strategy 
Hakan Gunaydin, Principal Scientist, Relay Therapeutics
18:05-18:10Closing Remarks
18:10-19:10Social 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
  • Matthieu Barragué, Sanofi
  • Raul Alvarez, Chemical Computing Group
  • Veerabahu (Veer) Shanmugasundaram, Celgene
Le Méridien Cambridge-MIT
20 Sidney Street
Cambridge, MA 02139