Database Release 2021.1

Here are the details for the first release in 2021 of the Guide to PHARMACOLOGY database, version 2021.1. This is the last release before we move forward with the process of preparing the next edition of the Concise Guide to Pharmacology (2021/22). As such, the release contains many updates specifically with the CGTP in mind.

The 2021.1 release contains:

  • 1,580 human targets with curated quantitative ligand interactions.
  • 10,821 ligands, 8,016 of which have curated quantitative target interactions.
  • 1,643 approved drugs, 995 with curated quantitative interactions.
  • Clinical use summaries for over 2,899 ligands of which 1,639 are approved drugs.

Coronavirus

The Guide to Pharmacology coronavirus information page continues to be updated on a regular basis to capture the latest pharmacological strategies under investigation to mitigate against COVID-19.

The peptide GM-CSF has been added to the targets lists as this has been indicated as a principal marker of sever COVID-19 immunopathology. Ligands added in include ensovibep (MP0420), emovododstat & MK-7110. Updates made to comments for sarliumab and tocilizumab.

Curation Updates

There have been some fairly significant updates in this release as a precursor to preparing the 2021/22 edition of the Concise Guide to Pharmacology.

A new family of enzymes, Peptidyl-prolyl cis/trans isomerases (PPIases), has been added. This includes some of the best understood PPIases, in particular those that are therapeutic targets (current or under investigation). We have added several pharmacological modulators that can be used to investigate their biological roles, as well as relevant clinical candidate compounds.

Ten of our ligands have been updated to reflect their approval by the FDA in the first quarter of 2021: vericiguat, cabotegravir, voclosporin, tepotinib, umbralisib, evinacumab-dgnb, trilaciclib, casimersen, serdexmethylphenidate and tivozanib.

Since our 2020.5 update we have added 220 new ligands. These have all been manually curated with chemical or peptide structures, links to external resources, general comments, notes on clinical development where appropriate, and target interaction data where this is available.

Many of our target family summary pages have been reviewed by our expert committees, and revised in preparation for generating the next edition of the Concise Guide to PHARMACOLOGY (2021/22 ed).

Website Updates

  • New ligand ID mapping file is available from downalods. This mapps GtoPdb ligand IDs to other database identifiers (inc. PubChem CID/SID, ChEMBL, ChEBI, UniProt, DrugBank and DrugCentral)
  • Also a new download file that provide all GtoPdb ligands, with structures, as a SDF (structure-data file).
  • Links from ligand summary pages to Reactome reactions and drug entities
  • Minor fixes to family tree-hierarchy display to hide expand/collapse buttons if there are no nodes to expand.
  • Update to RCSB PDB ligand links (updated URL)
  • New home page (beta version) is accessible here https://www.guidetopharmacology.org/index_beta.jsp

Guide to Malaria Pharmacology (GtoMPdb)

These are the recent advancements made in the GtoMPdb for this database release:

screenshot-2021-02-25-at-18.39.57Figure 1. The Antimalarial targets family page illustrating the new subfamily classification (highlighted in magenta).

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Posted in Database updates, Technical

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