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Wednesday, November 26, 2014
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The Future of Compound Management
Dr Richard Kim, Ben Schenker, Simon Tullett

Current compound management practices have evolved to support both primary and secondary screening projects from a centralized repository storing a combination of plates and tubes. In this poster we will describe an innovative large-scale tube-based compound management approach to maximize lab space; improve compound stability; enable rapid generation of custom screening sets; while providing background QC and real time library integration of new chemical entities.

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.

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Showing Results 91 - 100 of 284
Scientific News
Antibiotic Resistance Threatens Future of Modern Medicine
Overuse and misuse of antibiotics, one of the key contributors to antimicrobial resistance (AMR).
Powerful Method To Speed Cancer Drug Discovery Unveiled
The new method lets researchers identify weak and previously undetectable interactions between proteins inside living cells.
Translating Research: New Drugs from Fish Oil Could Aid Artery Repair
Every year, more than a half-million Americans undergo procedures to have a narrowed coronary artery propped open with a small metal mesh tube, or stent.
Direct Drug Screening Of Biopsies Could Overcome Resistance
Combining genetic with pharmacologic screening of tumors may enable truly individualized treatment regimens.
Almac Announces Launch of CLIA Validated Next Generation Sequencing Assay
P53 considered important biomarker for cancer drug discovery.
Next-Gen Melanoma Drug Excels in Lab Tests
Anti-cancer activity was reported in 10 out of 11 patient tumor samples grown in mice and treated with the experimental drug TAK-733.
Blood Test Could Reduce Antibiotic Use
A new blood biomarker test that indicates whether bacteria is the cause of a patient’s lung infection is now being studied at UPMC Presbyterian.
New Targets and Test to Develop Treatments for Memory Disorders
The study focuses on kinesin, a molecular motor protein that plays a role in the transport of other proteins throughout a cell.
Drugging the Undruggable
Discovery opens up possibility of slowing cancer spread.
Classification of Gene Mutations in Neuroblastoma
Penn Medicine and CHOP experts define riskier mutations in neuroblastoma, setting stage for clinical trial.
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