The Japan Association for International Chemical Information (JAICI), The Protein Data Bank Japan (PDBJ) and The Cambridge Crystallographic Data Centre (CCDC) are excited to collaborate on the 2021 Annual CBI Meeting.
The programme's theme is "Digital Transformation Revolutionizes Life Science – New Strategies of AI-Driven Drug Discovery." The CCDC will present a sponsored talk in partnership with the PDBJ.
Speaker: Francis L. Atkinson, Cheminformatics Data Scientist, CCDC
Date: Tues., 26 Oct.
Time: 14:30 – 15:00 JST / 06:30 – 07:00 BST
Several data resources for chemical and biochemical data relevant to structure-based drug design exist. However, much time must currently be spent by drug discovery researchers to standardize, curate, and integrate data from these multiple resources to gain a comprehensive understanding of biological systems. A recent collaboration between EMBL's European Bioinformatics Institute (EMBL-EBI) and the CCDC will allow the aggregation of data on small molecules and related macromolecules together into a knowledge-based platform developed by the Protein Data Bank in Europe (PDBe).
The collaboration, called BioChemGRAPH, will bring together data from the PDBe, ChEMBL and the Cambridge Structural Database (CSD) and will allow researchers to quickly access relevant information from trusted, but currently separate, datasets, helping to advance research in the fields of drug target validation, development, and repurposing. It will be possible to better answer questions like:
- How does this target behave?
- Where can this drug be repurposed?
- What potential side-effects could this candidate have?
In this talk, we will describe the background to this project and the progress made to date.