Small Molecule Bioactivity Resources
Venue:
European Bioinformatics Institute,
Cambridge, CB10 1SD
United Kingdom
See map: Google Maps
Date:
Monday, February 14, 2011 - Friday, February 18, 2011
Organizers:
Admin support:
Frank O'Donnell
,
EMBL-EBI, UK
Registration Opens Date:
Wednesday, September 1, 2010
Registration Deadline:
Friday, January 14, 2011
Participation:
Open application with selection
Is it right for me?
- This highly interdisciplinary course in next-generation publicly available chemoinformatics tools is ideal for academics or industrial researchers interested in drug discovery or for researchers looking to progress from basic functional genomics to translational research.
- Participants should have a degree in a biomedical discipline. No previous training in bioinformatics is required.
- The course will be highly interactive and will include problem solving sessions each day. Attendees are strongly encouraged to bring ideas for particular pieces of work to the addressed during these sessions.
What will I learn?
- Searching of public databases such as ChEMBL and PubChem, for small molecules of biological interest.
- Using related bioinformatics databases and services (including Ensembl, Uniprot, ArrayExpress and Zinc), to cross-reference small molecule data.
- Investigate the structure-activity relationships of small bioactive molecules using ChEMBL.
- Selecting compounds to screen against novel targets and reference standards.
- Optimising compound structures for target validation.
What will it cover?
- Overview of public domain chemical structure resources.
- The role of open science in drug discovery.
- Analysis and modulation of disease linked pathways.
- Tools and strategies to get the best from chemical and small molecule databases.
- Target analysis and prioritisation of genomic data for drug discovery.
| Time | Topic |
|---|---|
| Day 1 - Monday 14 February 2011 | |
| 12:00 - 13:30 | Registration and Lunch |
| 13:30 - 13:45 | Welcome and Safety Briefing |
| 13:45 - 15:00 | Lecture: Bioactivity research and applications: basic concepts and state of the art (John Overington) |
| 15:00 - 15:30 | Tea/Coffee |
| 15:30 - 16:30 | Lecture: Overview of bioactivity resources and tools (Bissan Al-Lazikani) |
| 16:30 - 18:00 | Flash presentations from participants |
| 18:00 - 19:30 | Poster session (with drinks and snacks) |
| Day 2 - Tuesday 15 February 2011 | |
| 09:00 - 09:45 | Lecture: Biology led querying (Anna Gaulton/John Overington) |
| 09:45 - 10:30 | Hands on: Problem solving in workgroups - biology use cases |
| 10:30 - 11:00 | Tea/Coffee |
| 11:00 - 12:30 | Druggability Resources (KazIkeda) |
| 12:30 - 13:30 | Lunch |
| 13:30 - 15:00 | Protein Family Resources (Mark Davies) |
| 15:00 - 15:30 | Tea/Coffee |
| 15:30 - 17:30 | Hands on: Problem solving in workgroups -Druggability and Protein Families |
| Day 3 - Wednesday 16 February 2011 | |
| 09:00 - 10:30 | Lecture and Hands on: Chemistry led querying (Anne Hersey/Louisa Bellis) |
| 10:30 - 11:00 | Tea/Coffee |
| 11:00 - 12:30 | Hands on: Chemistry led querying (Anne Hersey/Louisa Bellis) |
| 12:30 - 13:00 | Buffet Lunch |
| 13:00 - 15:30 | Hands on: Problem solving in workgroups - chemistry use cases |
| 15:50 - 19:30 | Transport from EBI to Cambridge City Centre (delegates have free time to see the sights, shop and enjoy Cambridge City Centre) |
| 19:00 - 22:00 | Evening meal at Jesus College Cambridge |
| 22:00 | Return transport from Jesus College Cambridge to the EBI/Wellcome Trust Conference Centre |
| Day 4 - Thursday 17 February 2011 | |
| 09:00 - 10:30 | Data integration and data mining in ChEMBL (Richard Bickerton & Jeremy Besnard) |
| 10:30 - 11:00 | Tea/Coffee |
| 11:00 - 12:00 | Hands On: Data integration and data mining in ChEMBL (Richard Bickerton & Jeremy Besnard) |
| 12:00 - 12:30 | Integration with Disease Data CanSAR (Bissan Al-Lazikani) |
| 12:30 - 13:30 | Lunch |
| 13:30 - 14:30 | Integration with Disease Data CanSAR cont'd (Bissan Al-Lazikani) |
| 14:30 - 15:30 | CREDO: A protein-ligand interaction database for drug discovery (Adrian Schreyer) |
| 15:30 - 16:00 | Tea/Coffee |
| 16:00 - 17:30 | Hands On: CREDO: A protein-ligand interaction database for drug discovery (Adrian Schreyer) |
| Day 5 - Friday 18 February 2011 | |
| 09:00 - 10:00 | Advanced applications and Hands on docking (Noel O’Boyle) |
| 10:00 - 10:30 | Tea/Coffee |
| 10:30 - 12:30 | Hands on continues: Use of protein structures - docking (Noel O’Boyle) |
| 12:30 - 13:30 | Lunch |
| 13:30 - 15:00 | Recap of material (John Overington) |
| 15:00 - 15:30 | Course close and survey |
This course will cost £350 per person.
Please note:- accommodation at The Wellcome Trust Conference Centre is included in the registration fee at no extra cost. If you are based locally and do not wish to use the accommodation you may opt out, but there is no reduction in the registration fee.
Registration Closed
John Overington
Bissan Al-Lazikani
Anna Gaulton
Anne Hersey
Louisa Bellis
Richard Bickerton
Jeremy Besnard
Adrian Schreyer
Noel O’Boyle
