|Communicating Drug Discovery Data Efficiently and Effectively|
Jonathan Davies and Andrew Lemon
In this poster, we present IDBS’ ActivityBase™ - a single, integrated framework that brings together biological and chemical information. The software integrates with Oracle®, the industry standard relational database and familiar Microsoft® applications such as Word and Excel. With all discovery data in one system, the communication of information between scientists is simplified - enabling better, faster decisions and the need for IT support to integrate disparate systems is eliminated.
|A new High Content Screening Paradigm: Combination of Image Analysis Software and Microplate Cytometry|
Sarah Payne, Paul Wylie, Simon Carter and Wayne Bowen
Researchers are under increasing pressure to perform high content cell-based assays at throughputs compatible with primary screening. Where throughput is not an issue, microscope-based CCD imagers have predominated within the high content field, due to the breadth of biological assays that can be addressed by image analysis techniques. However, they have limited utility for screening due to their low throughput, limited field of view and generation of terabytes of image data.
|Cloe Screen MDR1-MDCK: A Predictive Model of Drug Permeability|
David Turner, Boris Pufong, Susan Hinchliffe, Gayle Corkill, Deborah Slamon, Peter Dykstra, Helen Gill, Clive Dilworth and Darwin Cheney
A MDR1-MDCK permeability screen for assessing the membrane permeability properties of early drug discovery compounds has been developed. This study measured the bi-directional transport of compounds with a range of permeabilities across MDR1-MDCK monolayers. Drug concentrations were analysed by LC-MS/MS, from which apparent permeability values in apical-basolateral and basolateral-apical directions and asymmetry index were calculated.
|Study Management in Late Stage Discovery and Preclinical Research|
Glyn Williams and Paul Denny-Gouldson
Organizations need to streamline their operations by managing the entire lifecycle of an experiment - from design to final publication of data. Organizations require the full benefits of IP protection, with the ability to access a solution for data capture, reduction, statistical analysis, charting and data curation. Researchers want a familiar notebook interface that they can use to create and manage study reports and publish data to corporate warehouses and document systems.
|A Software-Aided Approach to Reducing the Synthetic Burdens of Lead Structure Optimization|
Sanjivanjit K. Bhal, Karim Kassam and Ed Kolovanov
Following the identification of a lead compound, the usual next step is optimization of that lead via slight structural modifications to improve or retain potency while simultaneously minimizing liabilities. Achieving this balance of required properties is a significant challenge. ACD/Structure Design Suite is a software tool that significantly helps the medicinal compounds that are expected to produce analogs with improved selected physicochemical properties.
|Gene Experssion-based Prediction and Mechanistic Assessment of Non-Genotoxic Chemical-Induced Hepatocarcinogenicity |
Mark R. Fielden and Richard J. Brennan
To facilitate both prediction and mechanism-based assessment of human cancer risk, a liver gene expression signature was derived from short term experiments in the rat to predict non-genotoxic hepatocarcinogenicity. The signature was shown to classify 47 independent chemicals with 85% accuracy, much greater than other putative early biomarkers.
|Simplifying the Flow of Drug Discovery Data|
Dr. Jonathan M.R. Davies
Regardless of research disciplines, scientists need to easily reach the information pertinent to their research. Ideally this data access is easy. Researchers also need the ability to ‘move the data around’ to gain a better view or different perspective. This data manipulation needs to be straightforward. Incorporating the varying views and information required by different scientific disciplines is a considerable challenge.
|Development of High-Throughput PAMPA as an In Vitro Model of Passive Transcellular Permeation|
Helen Gill, Boris Pufong, Peter Dykstra, Lynn Lemmers and Darwin Cheney
The absorption of orally administered compounds is largely determined by their ability to cross the gastrointestinal tract. Cell culture models can be intensive and limited to a narrow pH range. Assays using artificial membranes, such as PAMPA (parallel artificial membrane permeation assay) can be used as an alternative approach to assess in vitro transcellular passive permeation.
|A Strategy to Investigate Potential Pro-Arrhythmic Effects of Compounds During the Drug Discovery and Development Process|
Clemens Möller, Anja Nordheim, Heike Deisemann, Irene Schlobohm, Rainer Netzer, and Andreas Scheel
For pharmaceutical companies it is not only essential to identify HERG interacting compounds early during the drug discovery and development process, but also to understand potential effects of compounds on the cardiac action potential. This helps to increase the safety for patients, and to avoid the costs of unsuccessful projects in later phases.