Events
Exploit project knowledge: Understand SAR to inform ligand design
Date and duration
Date: January 12th
Time: 9am GMT
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. You will learn 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
After graduating in Biology from the University of Padova, Giovanna spent 20 years at Glaxo/GlaxoWellcome/GSK as a computational chemist, with increasing responsibilities. As a senior computational chemist, she supported a variety of drug discovery programs in the antibacterial and CNS areas, and led target-to-lead CNS programs. More recently, she supported business development as a senior proposal driver at Aptuit. Giovanna joined Cresset in December 2014. She has responsibility for delivering Cresset desktop solutions for computational and medicinal chemists.
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