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Meet with us at the Proventa Medicinal Chemistry and Biology strategy meetings

  • Date: March 19-20, 2019
  • Venue: Crowne Plaza London Docklands, London, UK
   Join us for the Proventa Medicinal Chemistry and Biology strategy meetings in London, where our teams will be chairing four roundtable discussions surrounding advances in drug discovery and their applications.  

Expanding the chemical space for DNA encoded libraries.

Session chair - Dave Madge, VP Research Service Division, WuXi AppTec Topics to discuss will include:
  1. Do we need to move beyond a ‘more is better’ strategy for DEL libraries and focus on quality?
  2. How do we define that ‘quality’ – number of hits, tractability of hits, degree to which binding opportunities are mapped by the library?
  3. What strategies are available to us to increase chemical space coverage and relevance in DEL libraries?
DNA encoded library screening offers an efficient and effective method to identify ‘small’ molecule ligands for new target proteins. However in our rush to maximise library size, with the reasonable objective of leveraging the advantages of the platform to the maximum we can, are we compromising the tractability of the molecules we identify? Worse, do we run the risk of missing low affinity, but more tractable, molecules in the noise of a massive screening collection?  

Will automation/robotics and AI ever discover a drug?

Session chair – Dave Parry, Technology Consultant, WuXi AppTec Topics to discuss will include:
  1. What does automation and AI currently deliver to the medicinal chemist?
  2. Where are the most effective overlaps between algorithms, automation and medicinal chemistry – e.g. SAR generation in hit to lead and lead optimisation, hit finding, synthesis route selection and optimisation?
  3. What is required to enable the effective use of automated SAR generation as an integral part of the discovery process?
There is significant interest in both AI methods and automation within drug discovery. A number of companies are now exploring fully integrated make and test platforms for SAR generation and the opportunity to close the loop with algorithmic methods to design/select compounds in an autonomous manner. This discussion will aim to determine what is required to embed these approaches into the discovery process, which elements of discovery are best suited to this automated approach and how the role of the medicinal chemist will evolve in parallel.    

Are novel in vitro assay technologies leading to better translation in vivo?

Session chair - Christine Brideau, Executive Director Biology, WuXi AppTec Topics to discuss will include: There is an expectation that new advancements in in vitro technologies such as 3D organoids, organ-on-a-chip, CRISPR aided gene editing, primary cells, Thermal Proteome Profiling and others, offer better target selection as well as faster progression to the clinic.
  1. Are these approaches positively impacting target validation and translation towards the clinic?
  2. Should these technologies be used early in lead molecule selection?
  3. Are patient-derived iPCS/stem cells or co-cultures enabling in vivo efficacy prediction?
  4. What are the challenges in designing in vitro assays for lead finding that are truly relevant to the biology of the target? (ie. fast DEL/ASMS on protein targets vs complex High Content cellular screens)
 

Emerging tools to match chemical and biological space in an increasingly complex target universe.

Session chair - Ismail Moarefi, Executive Director Science & New Technologies at Crelux, a WuXi AppTec Company Topics to discuss will include:
  1. There is a rapid shift in focus away from single proteins towards multi-protein complexes, DNA and RNA as drug targets.
  2. How can the existing chemical space be expanded to best address this shift in target space?
  3. Are our established hit finding approaches suitable to deliver high quality hits?
  4. Do we have the right tools in hand to find, characterize and optimize allosteric compounds?
  5. Will cryo-EM be the answer to our structural biology needs or is it just close to its peak in the hype cycle?