EFMC-ACSMEDI Medicinal Chemistry Frontiers 2024

Joint Symposium on Medicinal Chemistry

 Utrecht, The Netherlands    April 8-11, 2024

Monday April 8 | 16:30-17:15 - Company Workshop by WuXi AppTec

"Self Service DNA Encoded Libraries with Case Studies on the Discovery of Macrocyclic Peptides and RNA Binding Ligands"

Presenter: PhD Alexander Satz, Executive Director

DNA-Encoded library (DEL) screening is now commonly used in the pharmaceutical industry to find novel chemical matter that modulates protein targets of interest. We will discuss how DELopen and DELight kits work. DELopen is a freely accessible collection of DELs that can be used for academic drug-discovery. DELight is a self-service kit that allows pharmaceutical companies to conduct a DEL screen in their own lab, without needing to reveal the identity of their target. Additionally, we have expanded our self-service kits to include linear and macrocyclic peptides, and chemical matter predisposed to bind RNA structures. Case studies will be provided.

Tuesday April 9 | 13:00-13:45 - Company Workshop by Thermo Fisher Scientific

"Cryo-Electron Microscopy is Revolutionizing Rational Drug Discovery Pipelines"

Presenter: Dr Ieva Drulyte, Senior Scientist Solutions Consultant

Cryo-electron microscopy (cryo-EM) has revolutionized structure-based drug discovery by allowing accurate and rapid visualization of drug-target interactions at high resolutions1. Whether to elucidate a mode of action, modulate binding affinities or optimize drug stability, all of these questions can be answered in just one day of cryo-EM data collection.

Join this workshop to learn about:

  • An overview of how to quickly go from protein to structure
  • How the adoption of cryo-EM is enabling structure-based drug design of previously intractable targets
  • Case study of accelerating CDK-activating kinase complex inhibitor design through cryo-EM2

1 Joshua A. Lees, Joao M. Dias, Seungil Han; Applications of Cryo-EM in small molecule and biologics drug design. Biochem Soc Trans 17 December 2021; 49 (6): 2627–2638.

2 Victoria I. Cushing, et al. High-resolution cryo-electron microscopy of the human CDK-activating kinase for structure-based drug design. bioRxiv 2023.04.07.536029.

Wednesday April 10 | 13:00-13:45 - Company Workshop by Schrödinger

"Augmenting Medicinal Chemistry with Digital Chemistry: A CDK2 Inhibitor Design Challenge"

Presenter: Dr Olivia Lynes, Strategic Deployment Manager

This hands-on design challenge will give participants the opportunity to design, computationally assess, and prioritize novel CDK2 inhibitors using LiveDesign. As part of the design challenge, participants will have access to:

  • Ligand Designer: a validated docking and design model
  • Predicted physicochemical properties
  • Machine learning models
  • A tool which searches ChEMBL and vendor databases (with over 1 billion total compounds) at rapid speeds to estimate the novelty of designed compounds
  • A Target Product Profile MPO

Thursday April 11 | 13:00-13:45 - Company Workshop by Iktos

"AI for Medicinal Chemists: Novel Compounds Design and Retrosynthesis Prediction"

Presenter: Dr Maxime Laugeois, Medicinal Chemistry Scientist

At Iktos, we are at the forefront of AI-based generative chemistry, pioneering the way for innovation in drug design and discovery. With our cutting-edge technology platform, we've harnessed the power of Generative AI, enabling ground-breaking developments in the field.

Discover the future of drug discovery with Iktos. Don't miss this opportunity to delve into the world of AI for drug discovery. Register today!