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Guide to Pharmacology Poster - ELIXIR All Hands 2020

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Poster on the IUPHAR/BPD Guide to PHARMACOLOGY presented at the ELIXIR All Hands 2020 Meeting

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Guide to Pharmacology Poster - ELIXIR All Hands 2020

  1. 1. 3. GtoPdb Coronavirus Information 2. Current database content 8. References 1 Centre for Discovery Brain Sciences, University of Edinburgh, Edinburgh, UK. 2 School of Life Sciences, University of Nottingham Medical School, Nottingham, UK. 3 Experimental Medicine and Immunotherapeutics, University of Cambridge, Cambridge. 4 Spedding Research Solutions SAS, Le Vesinet, France. * The International Union of Basic and Clinical Pharmacology Committee on Receptor Nomenclature and Drug Classification. The IUPHAR/BPS Guide to PHARMACOLOGY 1. Introduction The IUPHAR/BPS Guide to PHARMACOLOGY (GtoPdb) is an open, expert-driven database of pharmacological targets and the substances that act on them [1]. It is a joint initiative between the British Pharmacological Society (BPS) and the International Union of Basic and Clinical Pharmacology (IUPHAR), which aims to cover the human targets of licensed drugs and other likely targets of future therapeutics. The information is presented at two levels: 1. Overviews of the key properties, selective ligands and further reading for a wide range of human biological targets, which forms the basis for the Concise Guide to PHARMACOLOGY (CGTP) [2]. 2. Detailed pharmacological, functional and clinical information for a subset of important targets. All data are curated from the primary literature by an international network of 500 experts in 96 subcommittees of the IUPHAR Committee on Receptor Nomenclature and Drug Classification (NC-IUPHAR). ~1,800 established or potential data-supported drug targets ~1,100 additional related proteins Across several target classes: GPCRs, NHRs, Enzymes, Ion-Channels, Catalytic Receptors, Transporter and other protein targets 1. Armstrong JF, et al. (2020). Nucl. Acids Res. 48 (Issue D1): D1006-D1021. 2. Alexander SPH, et al. (2019). Br J Pharmacol. 176 (Suppl 1): S1-S493. 3. Alexander SPH, et al. (2020). Br J Pharmacol. Online ahead of print. DOI: 10.1111/bph.15094 4. Gaulton A, et al. (2017). Nucl. Acids Res. 45 (Database Issue): D945-D954. 5. Harding SD, et al. (2020). Immunology. 160(1): 10-23. 6. Medicines for Malaria Venture In addition, for a “how-to” guide on using GtoPdb see: Sharman JL, et al. (2018) Curr Protoc Bioinformatics. 61: 1.34.1-1.34.46. 5. IUPHAR Guide to Immunopharmacology Launched in October 2018, the Wellcome Trust-funded IUPHAR Guide to Immunopharmacology (GtoImmuPdb; extends the information stored about drug targets by associating them with processes, cell types and disease of relevance to immunology. Providing a knowledge base that, for the first time, connects immunology with pharmacology [5]. Simon D. Harding1 , Jane F. Armstrong1 , Elena Faccenda1 , Adam J. Pawson1 , Christopher Southan1 , Stephen P.H. Alexander2 , Anthony P. Davenport3 , Michael Spedding4 , Jamie A. Davies1 and NC-IUPHAR* 6. IUPHAR/MMV Guide to Malaria Pharmacology @GuidetoPHARM 4. Comparing ligand affinity across species Ligand activity graphs provide a quick way to visualise affinity at different targets and across species. Box plots (Fig. 2A) summarise standardised activity data from GtoPdb and ChEMBL [4]. Individual data points, assay details and references are provided in an accompanying table (Fig. 2B). Figure 2. Chart and table showing palosuran activity at human and rat UT receptors. A B 7. New features and accessing GtoPbd data New website features • Explicit links between ligands/drugs and clinical trials on ligand summary pages • New tag for WHO Essential Medicines • External links added to European PMC Accessing GtoPdb Data can be done in a number of ways: • Lists of targets, ligands and interactions in CSV format • REST web services for computational access to data in JSON format • SQL database dump files • Interaction data are now available in RDF format for semantic integration • BioSchemas semantic mark-up across ligand, target and coronavirus pages ~10,000 ligands, over 7,000 with quantitative interaction data Includes experimental compounds, labelled ligands, antibodies, peptides, natural products and inorganic chemicals > 1,450 approved drugs, >950 with quantitative interaction data  540 targets and over 1,000 ligands of relevance to immunopharmacology.  700 associations between ligands and disease  3,000 target to immuno process associations  300 target to cell type associations This expert curation seeks to bring the most valuable pharmacological data into the hands of immunology researchers, facilitating the crossover of their research into drug discovery and therapeutics We especially thank all contributors, collaborators and NC-IUPHAR members Since October 2017, collaboration between IUPHAR and Medicines for Malaria Venture (MMV) [6] to curate antimalarial compounds and Plasmodium molecular targets for approved drugs. To provide optimised access to GtoPdb data for the malaria research community. Key Features • Provides a unique access point to the antimalarial information in our expert-curated database • Designed in consultation with malaria researchers to provide tailored routes into browsing the antimalarial data Currently there are 80 antimalarial ligands curated in the database, covering 33 Plasmodium molecular targets. We submit all our curated antimalarial compounds, that include approved drugs, clinical candidates and research leads, to PubChem where they acquire GtoPdb-specific Substance Identifiers (SIDs). These currently merge into 57 Compound Identifiers (CIDs) that are fully searchable in PubChem. Our latest database report can be found here:Our latest database report can be found here: Slideshare: Given the novelty of SARS-CoV-2 infection (COVID-19), and the lack of proven therapies, a wide variety of strategies are being employed to combat this worldwide epidemic. Many of these emerging strategies rely on repurposing existing drugs, and others are completely new, but all rely on existing scientific evidence of mechanistic approaches that are effective against either similar viral infections or the serious symptoms that are caused by COVID-19. All of these tactics are intended to mitigate against COVID-19 and provide a window during which vaccine development can progress. GtoPdb collates information on many of the pharmacological strategies and tactics being considered. It also provide links to key publications and other useful resources related to SARS-CoV-2 and COVID-19. We have also recently published “A Rational Roadmap for SARS-CoV-2/COVID-19 Pharmacotherapeutic Research and Development” [3] in which we identify opportunities for drug discovery in the treatment of COVID 19 and in so doing, provide a rational roadmap‐ whereby pharmacology and pharmacologists can mitigate against the global pandemic.