Events

Streamline the design of covalent inhibitors

Date and duration

Date: March 17th

Time: 1pm GMT, 8am EST

Duration: 45 minutes

Format: Webinar

Abstract

Covalent inhibitors have become a popular approach within drug discovery in recent years. Covalently attaching ligands to the protein target potentially enables pharmacodynamic and pharmacokinetic advantages: at the same time, compounds must be selective to mitigate off-target reactions. This webinar will focus on using Flare™, and Lead Finder™ to generate high-quality poses of covalent compounds, analyze the results to design new compounds and help prioritize synthetic effort. It will not cover how to model the reactivity of the compounds.

About the presenter

Nathan KidleyNathan Kidley completed his PhD in Computational Chemistry at the University of Exeter, UK. He then joined Syngenta at Jealott’s Hill where, for 14 years, his work primarily focused on lead finding optimization projects for small molecule active ingredient research. Nathan’s experience spans writing chemical standardization rules to using molecular dynamics to drive conformational changes. As a Senior Application Scientist at Cresset Nathan’s responsibilities include training and supporting customers, enabling them to achieve their scientific goals through the use of Cresset’s ligand-based and structure-based software solutions.