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Friday, September 19, 2014
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An Integrated Solution for Automated Nanoliter Hit-Picking at BioFocus
Joby Jenkins1, Dr Manuel Baader2 , Chloe Carter1, Stephen Starkie1

This poster describes a section of BioFocus’s screening workfolow where mosquito X1 is integrated with a RapidStak plate stacker (Thermo Scientific) using TTP LabTech’s CherryPicker software. This allows the mosquito X1 to work unattended for extended periods. The CherryPicker software drives the system automatically by converting pick lists provided by BioFocus’ LIMS system into mosquito protocols, and feeding appropriate plates via the RapidStak.

Fragment-Based Chemogenomics
Chris de Graaf, Gerdien de Kloe, Henry Vischer, Mark Verheij, Saskia Nijmeijer, Azra Delic, David Maussang, Ken Chow, Anitha Shanmugham, Paul England, Rogier Smits, Rob Leurs and Iwan de Esch

A proprietary and structurally diverse fragment library has been created and screened for a variety of Gprotein coupled receptors (GPCRs) and a number of other drug targets. The data allows for a fragment-based chemogenomics study to interrogate the interactions of GPCRs and their ligands.

Analytical and Chemical Knowledge Management Software for Drug Metabolism Science
Graham A. McGibbon, Karim Kassam, and Susan Ling

Characterizing metabolite structures and metabolic pathways is essential to understanding the potential biological implications of compounds in drug discovery.

Analytical and Chemical Knowledge Management Software for Drug Metabolism Science
Graham A. McGibbon, Karim Kassam, and Susan Ling

Characterizing metabolite structures and metabolic pathways is essential to understanding the potential biological implications of compounds in drug discovery.

In silico screening of new potential TCR/CollagenII-MHCII inhibitors against rheumatoid arthritis
Davide Pirolli, Francesco Ria, Bruno Giardina and Maria Cristina De Rosa

Residues 261-273 of type II collagen bound to the MHC class II allele HLA-DR4 play a crucial role in rheumatoid arthritis. The protein–protein interactions between TCR and CII-MHCII complex may therefore serve as targets for the development of new drugs against RA. The aim of this study is to develop a pharmacophore virtual screening followed by molecular docking and dynamics calculations leading to the identification of new TCR/CII-MHCII inhibitors.

SuperNatural: A Database of Available Natural Compounds
Melanie Füllbeck, Mathias Dunkel and Robert Preissner

The majority of marketed drugs are natural compounds or derivatives thereof. The compounds availability is often unclear. Therefore we have compiled a database of ~50,000 natural compounds. Starting point for in silico screenings are about 2,500 well-known, classified natural compounds or imported molecules. Possible medical applications can be detected and about three million conformers computed to account for the flexibility during usage of the 3D-superposition algorithm.

An improved data processing pipe-line for comprehensive H-NMR and X/MS -omics data
R. J. O. Torgrip, K. M. Åberg, E. Alm

In the post acqusition analysis of comprehensive -omics data the pre-processing pipe-line is crucial to extract the maximum possible amount of information from the data. Here we show a processing pipe-line for (1D)H-NMR and (2D)X/MS data comprising; feature detection, inter-sample feature alignment and internal-standard free normalization that outperforms today’s state-of-the-art processing schemes.

Alignment of 1H-NMR data using a Generalized Fuzzy Hough Transform
Erik Alm, Leonard Csenki, Ralf J.O. Torgrip, K. Magnus Åberg, Lars I. Nord, Ina Schuppe-Koistinen and Johan Lindberg

In metabolic profiling, multivariate data analysis techniques are used to interpret 1D 1H–NMR data. Multivariate data analysis techniques require that peaks are located in the same variables in every spectrum – this requirement is not met in native NMR spectra. Current state-of-the-art alignment algorithms are unable to align peaks when the spatial order of the peaks changes. We present the Fuzzy Generalized Hough Transform alignment which solves the alignment problem.

1H NMR for the Accurate Quantification of Analytical Reference Standards
Jan Schripsema, Denise Dagnino and Peter Verhaert

NMR can be used for the quantification of minute quantities of standard compounds. The high specificity of NMR signals permits absolute quantifications independent of the presence of impurities. The feasibility and limits of NMR application are demonstrated through the analysis of algal toxins and polar substances in butter.

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Showing Results 71 - 80 of 263
Scientific News
Blood Test To Diagnose Depression
Test identifies nine blood markers tied to depression; predicts who will benefit from therapy.
Study Aims to Develop Breath Test for COPD
A new clinical iniative, lead by NYU Langone Medical Center, aims to determine a breath test’s effectiveness to identify volatile organic compounds (VOCs) in human breath that are biomarkers of chronic obstructive pulmonary disease (COPD).
In Directing Stem Cells, Context Matters
The surface cells are grown on has a profound effect on differentiation.
New Cell Model to Speed up Development of Brain Tumour Drugs
Rresearch looks set to improve screening for new cancer drugs and drug delivery systems specifically designed for children with brain tumours.
New Advances in the Pre-clinical Evaluation of Hepatitis B Therapies
Imperial College London to present first public HBV Data from CN Bio in vitro liver model.
Cancer-Fighting Drugs Might Also Stop Malaria Early
A number of compounds have been identified which could be used to fight malaria.
Bowel Disease Gene Discovery
Genetic changes that occur in patients with the bowel condition Crohn’s disease could hold clues to fighting the illness.
Test Reliably Detects Inherited Immune Deficiency in Newborns
NIH-supported study suggests that early diagnosis of severe combined immunodeficiency leads to high survival rates.
Test Reliably Detects Inherited Immune Deficiency in Newborns
NIH-supported study suggests that early diagnosis of severe combined immunodeficiency leads to high survival rates.
Heart Molecule Discovery Could Lead to Effective Treatment for Heart Failure
Researchers have discovered a previously unknown cardiac molecule that could provide a key to treating, and preventing, heart failure.
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