Industry Talk - Evotec

This online talk will be given by Iuni Trist and Elisa Moro of Evotec.

Registration is free, click here for the Teams link.

Title: Understanding real conformations in solution to accelerate Drug Discovery @Evotec

Abstract: What if the conformations driving potency, selectivity, and ADME properties are not the ones
you are designing?
While medicinal chemistry often focuses on a single bioactive structure, molecules exist as
dynamic ensembles in solution. These populations can strongly influence not only target
engagement through ligand preorganization, but also key developability properties including
permeability, metabolism, solubility, and off-target activity.
At Evotec, we have established a platform that combines state-of-the-art in silico predictions
with experimental NMR measurements to uncover the conformations molecules truly populate
in solution. These actionable insights enable drug design teams to make better-informed
decisions to rationally synthesize molecules with improved properties exploiting conformational
drivers or cyclization strategies.
In this webinar, we will illustrate how solution-state conformational analysis can de-risk and
accelerate drug discovery projects. We will also present examples showing how also routine
NMR data can validate conformational design strategies and provide critical feedback to drug
discovery teams, even without undertaking a full conformational ensemble study.