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Open Source Malaria July 2014

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Presentation about the Open Source Malaria group, given by Matthew Todd a the Open Source Pharma Conference, which took place at Rockefeller Foundation Bellagio Center in July 2014.

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Open Source Malaria July 2014

  1. 1. A/Prof Matthew Todd, School of Chemistry, University of Sydney mattoddchem http://intermolecular.wordpress.com/ JCBMS, Cambridge, July 14th 2014 Matthew Todd
  2. 2. http://www3.imperial.ac.uk/schisto; http://bit.ly/9azFHv Open Project #1: Bilharzia N N O O 2/26
  3. 3. Stepwise vs. Concerted 3/26
  4. 4. The Synaptic Leap and Usefulchem 4/26
  5. 5. H N O N O O O N O N O H catalyst Industrial Precursor Praziquantel Funding and Lab Books 5/26
  6. 6. Openness and the Commercial Sector 6/26
  7. 7. Completed Open Solution Details of Route: PLoS NTD 2011, 5(9): e1260 Full Description of Project: Nature Chemistry 2011, 3, 745-748 7/26
  8. 8. http://bit.ly/dtkwf0, http://bit.ly/aqHWtV, http://bit.ly/bJNZ8N, http://bit.ly/8TrvZ4 Advantages 8/26 Transparency Benefits of the Starfish …but a Need for FoodSpeed
  9. 9. HIT LEAD? CONVENTIONAL DRUG DISCOVERY 9/26
  10. 10. Great Starting Points 11/26
  11. 11. Open Source Malaria 12/26 http://www.thesynapticleap.org/node/343
  12. 12. OSM Series Summary 13/26 http://openwetware.org/wiki/OpenSourceMalaria:Compound_Series Series typically not exhausted - Decision points made to move to another. Anyone free to employ OSM infrastructure to explore these series F H2N N O O O F N HN N O S O N N N S N Cl O O N N N S NH2 S NH2 O O N N N N O F F HN O Cl SERIES 1 Potent Ester problematic SERIES 1A Potent Gametocyte active Low solubility SERIES 2 Potent Duplication with Closed Group SERIES 3 Potent Singleton? SERIES 4 Already investigated in Pharma/CRO Promising PK Possible PfATP4 activity PARKED ONGOING NEW
  13. 13. Openness Activates the Community Open Source Drug Discovery – A Limited Tutorial, Parasitology, 2014, 141, 148–157 ONLINE LAB BOOKS DATA MANAGEMENT OPEN PROJECT MANAGEMENT ONLINE MEETINGSALERT MECHANISMS @O_S_M 14/26
  14. 14. 15/26
  15. 15. 16/26
  16. 16. 17/26
  17. 17. Current Focus – Series 4 Current What OSM Needs Now • Analog design • Organic synthesis • Prediction of pharmacophore • On-call hERG assay • Data curation/automation • Contacts at CROs • Law/Economics of Downstream Rapid Parasite Clearance in Mice 18/26
  18. 18. Inputs Last Week Current 19/26
  19. 19. Metabolic Stability Current 20/26 Chris Swain
  20. 20. Start of Open Source TB Project Current 21/26 With Jamie Triccas, Usyd Medicine, and GSK Tres Cantos
  21. 21. Is Open Source Drug Discovery Realistic? 22/26 http://www.fda.gov/scienceresearch/specialtopics/criticalpathinitiative/criticalpathopportunitiesreports/ucm077262.htm 100% Obvious 29% Obvious89% Obvious
  22. 22. Break a Monolithic Structure 22/26
  23. 23. Reconstruct 22/26 Nimble, self-assembly encouraged through openness
  24. 24. 24/26 The Analogy http://bit.ly/13zFJ6s
  25. 25. 25/26 The Analogy
  26. 26. Sydney: Michael Woelfe, Paul Ylioja, Murray Robertson, Alice Williamson, Mike Robins, Kat Badiola, Jimmy Cronshaw, Zoe Hungerford, Laura White, Clara Chen, Angela Butera, Matin Dean, Althea Tsang, Jo Ubels, Tom MacDonald, Ingo Topolnicki, Carmen Tran WHO/TDR: Piero Olliaro Syncom B.V.: Jean- Paul Seerden MMV: Tim Wells, Paul Willis and Jeremy Burrows GSK: Javier Gamo and Felix Calderon Southampton: Jeremy Frey and team ChEMBL: John Overington, Iain Wallace, George Papadatos ANU: Kiaran Kirk Adelaide Dennis and Adele Lehane OSDD India: Sanjay Batra, Soumya Bhattacharyya Eskitis: Vicky Avery, Sabine Fletcher, Sandra Duffy Monash: Sue Charman, Karen White. Melbourne: Stuart Ralph, James Pham Basel: Sergio Wittlin Edinburgh: Patrick Thompson, Devon Scott, Eduvie Omene Stockholm: Sabin Llona Minguez UCSD: Stephan Meister Lawrence Uni: Stefan Debbert Other Online: Chris Southan, Jonathan Baell, Chris Swain and many others 26/26
  27. 27. 26/26 Open Access Content may be viewed freely without charge to the reader. Open Innovation Problems are posted openly, solutions can be closed/private. Significant level of ownership of result. Crowdsourcing A group completes a task by individuals completing small fragments. No requirement for methods/details to be shared. Gain: Person-power Open Source All data and ideas are shared openly (i.e. with everyone), anyone may contribute at any level. All content may be remixed and reused. No consortia, restrictions, embargoes, minimal ownership. Gain: Lack of (unnecessary) duplication

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