4th RSC Anglo-Nordic Medicinal Chemistry Symposium
Date & Time - June 10th-13th, 2025
Location - Snekkersten, Denmark
Schrödinger is excited to be participating in the 4th RSC Anglo-Nordic Medicinal Chemistry Symposium taking place on June 10th – 13th in Snekkersten, Denmark. Join us for a presentation and a workshop. Stop by booth 8 to speak with Schrödinger scientists.
JUN 11 | 12:00 Presentation: Structure-based Discovery and Development of Highly Potent Dihydroorotate Dehydrogenase Inhibitors for Malaria Chemoprevention
Speaker:
Zhe Nie, Executive Director, Medicinal Chemistry, Schrödinger
JUN 11 | 14:30 Workshop: Prioritizing DLK Inhibitors for Potency, Selectivity, and Brain-penetration: A Digital Chemistry Design Challenge
Speaker:
Áine Henley, SDM II, Schrödinger
Abstract:
In this hands-on workshop, we will use Schrödinger’s LiveDesign platform to design and triage DLK inhibitors using a series of predictive models. We will highlight how LiveDesign can be used to identify and address program challenges as well as predict the various different endpoints to allow for informed synthesis decisions. The workshop will feature the following capabilities:
Interactive 2D/3D design with Ligand Designer
Substructure filtering and structurally-aware formulas for labeling subseries
Use of forms view and plotting to identify correlations between calculated and experimental data points
Integration of advanced computational methods like E-sol for predicting Kpu,u and FEP+ for predicting binding affinity
Development of MPO scores for prioritizing synthesis decisions
The workshop will be concluded with a design challenge that is aimed to identify selective and potent inhibitors that match the developed MPO.