BMCS Conformational Design in Drug Discovery 2024 

BMCS Conformational Design in Drug Discovery

Thursday 7th March 2024

GSK Conference Centre, Stevenage, UK

Gunnels Wood Road

Conformational Design has played a key role in the medicinal chemistry of small molecule clinical candidates over the last 20 years. A key learning from multiple projects supported by experimental free ligand NMR solution conformations and protein-ligand X-ray structures is that the bioactive conformation of potent ligands is highly populated in solution. Ligand rigidification has been particularly successful in the design of selective and potent protein-protein interaction inhibitors and is becoming an increasingly important approach for PROTACs, molecular glues and other new modalities. This new 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.

Bursary application submission is now closed.

Registration is now open. Please click here to register.

Call for Abstracts
Abstract submissions are now closed.

Important links and downloads
Twitter hashtag – #ConformationalDesign24

First announcement poster – click here to download 

Second announcement poster – click here to download

Exhibition/Sponsor Opportunities

Exhibition Package is priced at £750 and includes:

– One stand personnel
– Stand space with a table and chairs
– Your logo and full promotional page in the pdf of the delegate handbook
– Your logo in the rolling slides, shown during the breaks
– Any additional stand personnel will have to be booked as delegates

Confirmed Speakers
Prof. Jan Kihlberg, Uppsala University
Gianni Chessari, Astex Pharmaceuticals
Elisabetta Chiarparin, Merck KGaA
Martin Packer, AstraZeneca UK
Prof. Alessio Ciulli, University of Dundee
Prof. Jonathan Essex, University of Southampton
Martin Watson, C4XD
Nichola Davies, AstraZeneca
Ian Wall, GlaxoSmithKline
Rodrigo Carbajo, J&J Innovative Medicine R&D

Meeting agenda

09:00Registration and Welcome Coffee
10:00 - 10:30Elisabetta Chiarparin, Merck KGaA
The role of conformational selection in drug design
10:30 - 11:00Martin Watson, C4XD
The Importance of Experimental Conformational Analysis in Drug Design
11:00 - 11:30Nichola Davies, AstraZeneca
Structural determinants of orally bioavailable Ro5 and bRo5 drugs
11:30 - 11:50Refreshment break
11:50 - 12:20Rodrigo Carbajo, J&J Innovative Medicine
A Database of Experimental Free-Ligand Conformations for Enhanced Drug Design
12:20 - 12:50Jan Kihlberg, University of Uppsala
Insight into PROTAC cell permeability and oral bioavailability
12:50 - 13:05Flash Talk Presentations
13:05 - 14:15Lunch break & Poster session
14:15 - 14:45Gianni Chessari, Astex Pharmaceuticals
Conformational studies and their impact in Structure-Based Drug Design
14:45 - 15:15Jonathan Essex, University of Southampton
How well do computer simulations reproduce molecular conformations?
15:15 - 15:45Martin Packer, AstraZeneca
Free energy perturbation as a conformational analysis tool
15:45 - 16:05Refreshment break
16:05 - 16:35Ian Wall, GSK
Practical Applications of Conformational Design
16:35 - 17:05Alessio Ciulli, University of Dundee
How PROTAC degraders work: Molecular recognition and design principles
17:05 - 17:10Close of conference

Confirmed Exhibitors
We are grateful to our confirmed exhibitors for their valued support.


With thanks to our sponsors

Organising Committee
Markus Schade, AstraZeneca (Chair)
Chris Swain, Cambridge MedChem Consulting (Treasurer)
Tim Barrett, GSK
Sharan Bagal, AstraZeneca
Elisabetta Chiarparin, Merck KGaA
Mike Hann, GSK (Scientific Host)

Secretariat Contact and Further Information
Hg3 Conferences Ltd
+44 (0)1423 529333