Abstract
The IUPHAR/BPS Guide to PHARMACOLOGY (GtoPdb, http://www.guidetopharmacology.org) provides expert-curated molecular interactions between successful and potential drugs and their targets in the human genome. Developed by the International Union of Basic and Clinical Pharmacology (IUPHAR) and the British Pharmacological Society (BPS), this resource, and its earlier incarnation as IUPHAR-DB, is described in our 2014 publication. This update incorporates changes over the intervening seven database releases. The unique model of content capture is based on established and new target class subcommittees collaborating with in-house curators. Most information comes from journal articles, but we now also index kinase cross-screening panels. Targets are specified by UniProtKB IDs. Small molecules are defined by PubChem Compound Identifiers (CIDs); ligand capture also includes peptides and clinical antibodies. We have extended the capture of ligands and targets linked via published quantitative binding data (e.g. Ki, IC50 or Kd). The resulting pharmacological relationship network now defines a data-supported druggable genome encompassing 7% of human proteins. The database also provides an expanded substrate for the biennially published compendium, the Concise Guide to PHARMACOLOGY. This article covers content increase, entity analysis, revised curation strategies, new website features and expanded download options.
Highlights
As demonstrated by this journal special issue, open databases have become indispensable for pharmacology, drug discovery, metabolism and chemical biology, and are increasingly important across other biomedical domains
The amount of structural information freely available is immensely useful to researchers, but navigating the resources is becoming problematic for database users [1]
The term ‘target’ includes verified targets for the mechanisms of action r (MMOA) for drugs used to treat human diseases, newer receptor-ligand pairings judged to be credible by a dedicated NC-International Union of Basic and Clinical Pharmacology (IUPHAR) subcommittee [11], and human targets identified by orthologue activity mapping where only non-human binding data are available
Summary
As demonstrated by this journal special issue, open databases have become indispensable for pharmacology, drug discovery, metabolism and chemical biology, and are increasingly important across other biomedical domains.
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