Events

Exploit project knowledge: Understand SAR to inform ligand design

Date and duration

Date: January 13th

Time: 1pm GMT, 8am EST

Duration: 45 minutes

Format: Webinar

Abstract

In drug discovery programs, summarizing and understanding the SAR for large sets of compounds can be both challenging and time-consuming. This webinar will focus on using Forge™, Cresset’s workbench for SAR analysis and molecule design. We will show how Activity Miner™ and Activity Atlas™ can give a clear rationale for changes in activity and provide inspiration for how to exploit this knowledge in new design iterations. Topics covered include finding critical regions of activity using activity cliff analysis; understanding the electrostatic and shape changes that cause a difference in activity; generating meaningful summaries of SAR into a visual 3D model to inform molecule design and help prioritize molecules for synthesis.

About the presenter

Sylvie_650x650Following a PhD in organic chemistry at the University of Leeds in the UK, Sylvie took a postdoctoral research fellowship at the University of Geneva in Switzerland. In 2000 Sylvie joined BioFocus (now part of Charles River Laboratories) where she led and advanced multiple medicinal chemistry projects on GPCRs to successful collaboration milestones. Sylvie joined Cresset in 2017 where, as an application scientist, she provides scientific and technical support to customers in North America.