Spermiogenesis or Spermateleosis or metamorphosis of spermatid
Guide to Pharmacology database: ELIXIR updae
1. IUPHAR/BPS Guide to PHARMACOLOGY
Simon Harding & Chris Southan
University of Edinburgh, UK
www.guidetopharmacology.org
10 DECEMBER
ELIXIR-UK ALL-HANDS, DUNDEE, 2019
1WWW.GUIDETOPHARMACOLOGY.ORG
2. www.guidetoimmunopharmacology.org
A knowledge-base that connects immunology with pharmacology
Targets and ligands linked to immunological processes, cell type and disease
IUPHAR/BPS Guide to Pharmacology
www.guidetopharmacology.org
Open, expert-driven database of pharmacological targets and the substances that act on them: ~1,700 human drug
targets, ~9,700 ligands, including ~1,300 approved drugs
Updated quarterly, accessible via website, download and web service API
Includes Bioschemas mark-up for ligands (Molecular Entities)
IUPHAR/MMV Guide to Malaria Pharmacology
Curation of antimalarial compounds and Plasmodium molecular
targets for approved drugs: www.guidetomalariapharmacology.org
4. Guide to MALARIA PHARMACOLOGY
4
Aim to curate antimalarial compounds and
Plasmodium molecular targets for approved
drugs
Developed with funding and scientific
support from the Medicines for Malaria
Venture (MMV)
www.guidetomalariapharmacology.org
WWW.GUIDETOPHARMACOLOGY.ORG
5. Guide to MALARIA PHARMACOLOGY
• Our last database release (2019.4)
contains:
• 72 ligands tagged as in
GtoMPdb
• 30 targets tagged as in
GtoMPdb
• Curated ligands include
• antimalarial leads
• drugs in preclinical and clinical
development
• approved medicines
6. WWW.GUIDETOPHARMACOLOGY.ORG 6
BioSchemas
<!-- BioSchemas Mark-Up For Ligands -->
<script type="application/ld+json">
{
"@context": "http://schema.org",
"@id": "https://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5535",
"@type": "MolecularEntity",
"@type": "DataRecord",
"dct:conformsTo": "https://bioschemas.org/types/MolecularEntity/",
"includedInDataset" : {
"@type": "Dataset",
"@id": "https://www.guidetopharmacology.org/index.jsp#dataset"
},
"mainEntity": {
"@id": "https://identifiers.org/iuphar.ligand:5535",
"name": "chloroquine",
"alternateName": [
"Aralen®","chloraquine","Malaquin®"
],
"description": "Chloroquine is a 4-aminoquinoline and used primarily as an antimalarial drug. <br>The approved drug is a racemic mixture and we show the chemical structure without stereochemistry
to represent the mixture. The non-isomeric structure is also represented in the PubChem, ChEMBL and ChEBI entries listed in the links table below, while the two enantiomers forming the racemate are
represented by <a href="https://pubchem.ncbi.nlm.nih.gov/compound/444810">PubChem CID 444810</a> and <a href="https://pubchem.ncbi.nlm.nih.gov/compound/639540">PubChem CID
639540</a>.<br>Marketed formulations may contain chloroquine phosphate (<a href="https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=64927&loc=ec_rcs" target="_blank">PubChem CID
64927</a>).<br><br>The <b>Malaria</b> tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.",
"identifier": "5535",
"inChI": "InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)",
"inChIKey": "WHTVZRBIWZFKQO-UHFFFAOYSA-N",
"iupacName": "N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine",
"molecularWeight": 319.18,
"smiles": "CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC",
"url": https://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5535
}
}
</script>
Addingschema.org semantic mark-up to GtoPdb
Our current focus is on implementing mark-up on all
ligand summary pages but also beginning to engage
on including mark-up for proteins.
Thanks to Alasdair Gray!
9. Interoperable entities between ELIXIR resources
9WWW.GUIDETOPHARMACOLOGY.ORG
Document > assay > result > compound > protein target
We can compare D-A-R-C-P between GtoPdb and ChEMBL