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IUPHAR/BPS Guide to PHARMACOLOGY in 2017: new features and updates

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Oral presentation slides to be presented at Pharmacology 2017, London, December 2017.

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IUPHAR/BPS Guide to PHARMACOLOGY in 2017: new features and updates

  1. 1. www.guidetopharmacology.org The IUPHAR/BPS Guide to PHARMACOLOGY in 2017: new features and updates Dr. Joanna Sharman Wednesday 13th December 2017 Pharmacology 2017, London http://www.guidetopharmacology.org
  2. 2. INTRODUCTION
  3. 3. Data on human drug targets and potential targets Recommended experimental ligands Information on approved drugs Entry point into pharmacological literature Sources of further reading Detailed annotation for important targets Overviews of the key properties of target families Target and ligand nomenclature • GtoPdb is an open, expert curated pharmacology database • Data are reviewed by an international network of >500 scientists in 96 subcommittees of the IUPHAR Nomenclature Committee (NC-IUPHAR)
  4. 4. A new portal linking GtoPdb targets and ligands to immunological cell types, processes and diseases. (Flash poster FP35 at 13:15 & poster PB128 Integrated Systems Pharmacology session at 14:45) • Publication snapshot created from the target family summary pages • At-a-glance view of target properties • Quick desktop reference guide • Key ligands and further reading • Links to GtoPdb • Alexander SPH et al. (2017). Br J Pharmacol. 174 (Suppl 1): S1-S446. http://www.guidetopharmacology.org/concisehttp://www.guidetoimmunopharmacology.org http://synpharm.guidetopharmacology.org A tool for finding ligand binding sequences which can be engineered into synthetic proteins to confer drugability. Combines pharmacological parameters from GtoPdb with ligand binding data from the PDB. A free learning resource to support education and training in the pharmacological sciences https://www.pharmacologyeducation.org @PharmacologyEd
  5. 5. DATABASE CONTENT Including recent additions and extensions
  6. 6. GtoPdb content - targets  ~1,700 established/potential data-supported human drug targets  564 targets of marketed drugs (313 primary targets)  ~1,100 additional related proteins • G protein-coupled receptors (Class A, B, C, frizzled, adhesion and orphan GPCRs) • Ligand-gated, voltage-gated and other ion channels • Nuclear hormone receptors • Catalytic receptors • Enzymes including kinases and proteases • Transporters • Other protein targets 6 Target numbers as of the 2017.6 release
  7. 7. ~9,000 ligands and drugs: • Approved drugs • Synthetic organic compounds • Metabolites, hormones, neurotransmitters • Natural products • Endogenous and other peptides • Antibodies • Inorganics • Labelled ligands GtoPdb content - ligands Ligand numbers as of the 2017.6 release
  8. 8. Content growth 0 1000 2000 3000 4000 5000 6000 7000 8000 9000 10000 Ligands Harding SD et al. (2018). Nucl. Acids Res. 46 (Database Issue): doi: 10.1093/nar/gkx1121
  9. 9. Recent additions and expansions • Antibodies • Kinases • Proteases and hydrolases • Epigenetic targets • Regulators of G protein Signaling (RGS) proteins • Targets relevant to immunopharmacology, including: • Transcription factors • Immune checkpoint proteins • Fc epsilon receptors • Absent in melanoma (AIM)-like receptors (ALRs) and C-type lectin- like receptors (CLRs) within Pattern Recognition Receptors
  10. 10. NAVIGATING THE WEBSITE Including new features
  11. 11. GtoPdb home page Home page organisation Quick links to target and ligand classes Updates about the database Latest news from our blog, including hot topics in pharmacology Recent NC-IUPHAR reviews Links to other key resources
  12. 12. GtoPdb target navigation
  13. 13. Click for species-specific selectivity table Ligand is endogenous in this species Ligand is labelled Ligand is radioactive Approved drug Primary target of this compound Interaction tables Immuno-relevant ligand
  14. 14. Immunopharmacology data types
  15. 15. GtoPdb ligand navigation
  16. 16. Clinical and bioactivity data for dabigatran
  17. 17. Ligand activity chart for palosuran showing species differences between human and rat
  18. 18. Organisation of ligand families • New ligand family and group listing gives easy access to groups of ligands with shared homology, functions or mechanism of action
  19. 19. Quick search box at the top of every page with autocomplete for target, family and ligand names Advanced search for targets/ligands Download results as a CSV file Sequence-based BLAST search for targets Searching the database
  20. 20. ACCESSING DATAAND FURTHER INFORMATION
  21. 21. Downloading data and files • Generic slide set and poster for teaching (http://www.guidetopharmacology.org/slides.jsp) • Target, ligand and interactions lists in CSV format, database dumps (http://www.guidetopharmacology.org/download.jsp) • RDF flat files of target-ligand interaction data for linked data browsing (http://www.guidetopharmacology.org/download.jsp#rdf) • REST web services for computational access to data in JSON form (http://www.guidetopharmacology.org/webServices.jsp) • Future: add customisable downloads, batch queries, provide a linked-data browser and SPARQL query platform TargetsLigands Interactions
  22. 22. • Nucleic Acids Research (Database Issue) article describing current status Harding SD et al. (2018) The IUPHAR/BPS Guide to PHARMACOLOGY in 2018: updates and expansion to encompass the new guide to IMMUNOPHARMACOLOGY. Nucl. Acids Res. 46 (Database Issue): doi: 10.1093/nar/gkx1121. • Current Protocols in Bioinformatics step-by-step protocols (in press) Sharman JL et al. (2018) Accessing expert-curated pharmacological data in the IUPHAR/BPS Guide to PHARMACOLOGY. Curr Protoc Bioinformatics. • Help page (http://www.guidetopharmacology.org/helpPage.jsp) • Tutorial (http://www.guidetopharmacology.org/GuidetoPHARMACOLOGY_Tutorial.pdf) • Technical blog posts (http://blog.guidetopharmacology.org/) • Follow us on • Download slides and posters • Email (enquiries@guidetopharmacology.org) Find out more about GtoPdb @GuidetoPHARM
  23. 23. Acknowledgements • Database team: • Jamie Davies (Principal Investigator) • Joanna Sharman, Simon Harding (Developers) • Adam Pawson, Elena Faccenda, Christopher Southan, Jane Armstrong (Curators) • Toni Wigglesworth (Project Administrator) • NC-IUPHAR members and subcommittees and Concise Guide to PHARMACOLOGY editors and contributors • IUPHAR/BPS Guide to PHARMACOLOGY funders: • All current and past NC-IUPHAR and website sponsors, especially: Poster Session: Integrated Systems Pharmacology, Wed December 13th, 2:45 PM PB128 - IUPHAR Guide to Immunopharmacology PB135 - A systems pharmacology study of the cholesterol biosynthesis pathway Poster Session: Education and Skills, Wed December 13th, 2:45 PM PE004 - The International Union of Basic and Clinical Pharmacology Committee on Receptor Nomenclature and Drug Classification (NC-IUPHAR): Relevance to pharmacology today and challenges for the future PE005 - Navigating links between structures and papers: PubMed-to-PubChem connectivity from the Guide to PHARMACOLOGY and the British Journal of Pharmacology PE011 - The IUPHAR/BPS Guide to PHARMACOLOGY in 2017: new features and updates

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