We are using this event page to upload some information - past and present - on the eCheminfo drug design workshop activities in Oxford, including our expansion of the workshop activity to negelected diseases.
The Scientists Against Malaria (SAM) initiative was formed with the goal of designing novel drug candidates against malaria (http://www.scientistsagainstmalaria.net/). During its first phase participants progressed target selection and modelling, computational screening, biological materials and assay preparation, through to the completion of initial experimental testing in the laboratory. The project has been initially focused on parastic kinases as novel targets for the potential development of a new class of anti-malaria drugs.
SAM is now being expanded as case study work supported by the eCheminfo community of practice which brings practitioners together with interests in the development and application of drug design methods. eCheminfo workshops provide an opportunity for scientists to participate in the modelling and design of libraries of molecules as potential lead candidates.
The next eCheminfo community of practice activity will involve a hands-on drug discovery workshop taking place in Oxford the week of 21 - 25 July. This workshop activity was initiated in 2006 to provide a setting where participants could learn and apply computational methods to drug design.
As in previous workshops the emphasis is on problem solving, practical hands-on use of methods and software, and working together throughout the week. In addition to the faculty-guided learning and exercises, this year's workshop will also offer a neglected disease case study focused on the discovery of new inhibitors of malarial kinases. Different methods will be applied to malarial proteins throughout the week to build and refine protein structures, carry out virtual screening, examine protein-drug interactions, form consensus models and include molecular properties such as potential toxic liabilities.
We will make use of OpenTox resources and applications in generating evidence on potential toxic liabilities in the decision making framework.
The OpenTox Euro 2014 meeting takes place 22 - 24 September in Athens, Greece. The meeting will be co-sponsored by ToxBank and eNanoMapper.
The theme of this year's meeting is industrial and regulatory application of predictive toxicology and includes sessions on read across, integrated testing strategies, systems biology, metabolism, nano safety, data resource management, visualisation and analysis.
The meeting program will include reviewed abstracts for talks and posters and interactive workshop activities and knowledge café discussions.
The OpenTox USA 2013 community meeting on innovative developments and
applications in predictive toxicology will take place in RTP, North
Carolina 29 - 30 October. The meeting is being organised as a
collaboration between OpenTox and ToxBank.
The meeting provides an opportunity for researchers to learn about best
practices and new applications in data management, modelling and
analysis applied for predictive toxicology and risk assessment purposes.
Abstracts for the poster session are being accepted through 31 August.
On behalf of the OpenTox USA 2013 Organising Committee,
we look forward to seeing you in Raleigh-Durham.
Barry Hardy (Douglas Connect)
Scott Auerbach (NIEHS)
Rusty Thomas (Hamner Institutes)
Asish Mohapatra (Health Canada)
OpenTox USA 2013
Hamner Conference Center, North Carolina Biotechnology Center
29 - 30 October
Topics: data management, in silico modelling and application
development, integrated data analysis, biokinetics, cheminformatics,
bioinformatics, weight of evidence, risk assessment.