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Collapse General Hands-on Information
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EBITrainingHands-onSmall Molecule Bioactivity Resources

Hands-on training at EBI - Small Molecule Bioactivity Resources

Course Summary
Course DetailsTitle: Small Molecule Bioactivity Resources
Date: 14-18 February 2011
Venue: EMBL-EBI, Hinxton, Nr Cambridge, CB10 1SD, UK
Organiser: John Overington, Vicky Schneider and Louisa Bellis
Admin Support: Frank O'Donnell
Registration Opens: 1st September 2010
Registration Deadline: 14th January 2011



Course Overview

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.
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Programme

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

Registration and Payment

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.

To register for this workshop please use the following link (Items marked * are mandatory. Incomplete registrations will not be processed):

Registration>>>>>>

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Trainers

John Overington, Bissan Al-Lazikani, Anna Gaulton, Anne Hersey, Louisa Bellis, KazIkeda, Richard Bickerton, Jeremy Besnard, Adrian Schreyer and Noel O’Boyle

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