BMCS 2nd Conformational Design in Drug Discovery 2025
Event
BMCS 2nd Conformational Design in Drug Discovery
Dates
Monday 3rd March 2025
Place
AstraZeneca, Cambridge, UK
The Discovery Centre
Cambridge Biomedical Campus
1 Francis Crick Avenue
Cambridge
CB2 0AA
Synopsis
Conformational Design plays a key role in the medicinal chemistry of small molecule drug candidates. The emergence of generative AI models to assist molecular design and free-energy-perturbation techniques critically depend on accurate prediction of 3D ligand conformations. Here we bring together cutting-edge computational methods with experimental free ligand NMR solution conformations and protein-ligand X-ray and CryoEM structures to craft the medicines of tomorrow. We will discuss ligand rigidification and physicochemical optimisation strategies for protein-protein interaction inhibitors, PROTACs, molecular glues, antibody-drug-conjugate payloads and other new modalities. This RSC-BMCS event aims at building a community that shares conformational design strategies, technologies, and successful case studies. It will complement other rational drug design events and promote more successful research into future medicines.
Who should attend?
This symposium will provide great learnings for medicinal chemists, computational chemists, structural biologists, biophysicists and NMR analytical chemists with an academic or industry interest in drug discovery. Prior knowledge in conformational design will not be required.
Want to become a member?
To join the RSC in order to qualify for discounted registration fees at all RSC events, please follow this RSC link.
Registration
Registration is now closed.
Registration Fees:
RSC Member – £115.00
Non-Member – £165.00
RSC Student Member – £40.00
Student Non-Member – £60.00
Important links and downloads
X (formerly twitter) hashtag – #ConformationalDesign25
Please click here for information on how to get to the venue
Please click here to download the first announcement poster.
Please click here to download the second announcement poster.
Sponsorship/Exhibition Opportunities
Bookings to sponsor or exhibit at the meeting are now open, click here to register.
Exhibition Package includes (£900):
– Two stand personnel with access to the scientific talks
– A table and 2 chairs
– Your logo and A4 promotional page in the pdf of the delegate handbook
– Your logo in the rolling slides, shown during the breaks
Confirmed Exhibitors
Sponsors
Programme
| 09.00 | Registration and Welcome Coffee |
|---|---|
| 09.30 | Welcome (Markus Schade, AstraZeneca) |
| 09.35 - 11.05 | Session Chair: Gemma Liwicki, AstraZeneca |
| 09.35 | Ruth Dooley, Evotec Harnessing Conformational Drivers in Drug Discovery |
| 10.05 | Bernd Kuhn, Roche Leveraging Conformational Insights for Efficient Inhibitor Design Against Neurological Targets |
| 10.35 | Thomas Fuchss, Merck ATM kinase inhibitor lartesertib |
| 11.05 | Refreshment Break |
| 11.25 - 12.40 | Session Chair: Heather Hryczanek, GSK |
| 11.25 | Henrik Möbitz, Novartis Design Principles for Balancing Lipophilicity and Permeability in beyond Rule of 5 Space |
| 11.55 | Henriette Willems, University of Cambridge PI5P4K Inhibitors: A case study of changing conformations |
| 12.25 | Flash Talk Presentations |
| 12.40 - 13.50 | Lunch and Poster Session |
| 13.50 - 15.20 | Session Chair: Martin Swarbrick, Ryvu Therapeutics |
| 13.50 | Ed Harder, Schrodinger OPLS5 – Molecular Mechanics Force Field and Its Applications |
| 14.20 | Joseph Bluck, Bayer AG Structure-based design given recent advances in both physics-based and AI models |
| 14.50 | Fabio Montisci, Cambridge Crystallographic Data Centre Data-driven PROTAC conformer ensemble generation and docking |
| 15.20 | Refreshment Break |
| 15.40 - 17.20 | Session Chair: A. Ganesan, University of East Anglia |
| 15.40 | Poster Prizes |
| 15.45 | Jovan Damjanovic, Novo Nordisk Synergistic AI/physics approach to structure-based design of druglike peptidic macrocycles |
| 16.15 | Gustavo Bezerra, Bicycle Therapeutics Identification of potent ACE2 binders via unique phage display: conformational insights and therapeutic potential |
| 16.45 | Elena de Orbe Izquierdo, AstraZeneca Conformations and properties of antibody-drug-conjugate linker-payloads |
| 17.15 | Closing remarks (Luca Carlino, AstraZeneca) |
| 17.20 | Close of conference |
Organising Committee
Markus Schade, AstraZeneca (Chair)
Chris Swain, Cambridge MedChem Consulting (Treasurer)
Luca Carlino, AstraZeneca
Tim Barrett, GSK
Martin Swarbrick, Ryvu Therapuetics
A. Ganesan, University of East Anglia
Secretariat Contact and Further Information
Hg3 Conferences Ltd
+44 (0)1423 529333
events@hg3.co.uk
