Corporate Banner
Satellite Banner
Technology Networks Header
Monday, September 15, 2014
Technology Networks
 
Register | Sign in
Home Page>Posters

  Posters

GALAS Modeling Methodology Applications In The Prediction Of Drug Metabolism Related Properties
Remigijus Didziapetris, Justas Dapkunas, Andrius Sazonovas and Pranas Japertas

Analytical identification of metabolites for a drug candidate is usually a time consuming and low-throughput task and is performed only at the later phases of drug development. Therefore the possibility to predict possible sites of human liver microsomal (HLM) metabolism using in silico techniques would be a very attractive feature for any medicinal chemist.

More Information
Effective Use of In-Silico Tools in Lead Optimization
Pranas Japertas, Andrius Sazonovas and Kiril Lanevskij

Of all the challenges facing medicinal chemists in general, one of the most significant must be transforming an active molecule into a viable drug. Lead optimization efforts are guided by a combination of factors, such as potency, ease of synthesis, patentability concerns, specific synthetic constrains of the interaction with the target, as well as the lead’s toxicity and ADME properties.

More Information
A Weight-of-Evidence Approach to Prioritisation based on Consensus across Multiple Sources of Information
Roman Affentranger (1), Barry Hardy (1), Glenn Myatt (2), Nina Jeliazkova (3), Matthew Clark (4), Jeffrey Wiseman (4)

We present the results of initial work carried out within the OpenToxLink Virtual Organization, applying a Weight-of-Evidence (WoE) approach based on consensus across multiple sources of information for the prediction of adverse effects of a large set of potential antimalarial compounds. The work was carried out as part of the EU FP7 project SYNERGY, evaluating the support of decision dashboards and event-driven collaborative research of software developed within SYNERGY.

More Information
Three-dimensional quantitative structure-activity relationship analysis and ADME predictions of guanylhydrazone coactivator binding inhibitors of estrogen receptors
Sergey Shityakov, Thomas Dandekar

The estrogen receptors (ER) refer to a group of the nuclear hormone receptor superfamily of ligand-mediated transcriptional factors. Over expression of this type of receptors leads to a breast cancer progression. Hormone-responsive breast cancer develops resistance to conventional anti-cancer therapy, and this becomes a major problem in a breast cancer therapy.

More Information
New Approach for In Silico Genotoxicity Testing of Impurities and Degradants
Kiril Lanevskij, Liutauras Juska, Remigijus Didziapetris and Pranas Japertas

This study presents a novel approach to aid this assessment based on probabilistic predictors of mutagenicity in Ames test and binding to Estrogen Receptor, supplemented by a knowledge-based system of structural alerts.

More Information
In silico Identification of Metabolic Soft Spots: Case Study Using ACD/ADME Suite Software
Justas Dapkunas, Andrius Sazonovas, Remigijus Didziapetris and Pranas Japertas

Metabolic stability, determined in liver microsomes, is one of the primary assays used in early drug discovery. A key factor limiting compound half-life is the cytochrome P450 mediated metabolism. High clearance by these enzymes implies a higher and more frequent dosing as well as poses a risk for individual variations in exposure.

More Information
Differential Toxicities of Kinase Inhibitors (KI) on Bone Marrow Progenitors from Different Species
Clarke, E. and Dos Santos, G.

Myelotoxicity is often a side effect of kinase inhibitors. We reported a correlation (R2 = 0.81) between in vitro human CFU-GM IC50 values and clinical neutropenia. When these values were obtained from other species, non-human primate and dog values compared well with human data, but rat and mouse IC50 values differed significantly. This suggests rodent assays may not accurately predict toxicity to the human hematopoietic system.

More Information
Development of Two Novel High-throughput Colorimetric Toxicity Detection Assays
Kimberly Lubell and Joseph Krebs

The MaxDiscovery Aspartate Transaminase (AST) and Lactate Dehydrogenase (LDH) Color Endpoint Assays permit visible detection of in vivo toxicity using only 5 µL of serum from rodents or other mammals. These novel assays employ simplified endpoint analysis to offer high sensitivity, low detection limits and the ability to use a visible plate reader.

More Information
The use of the IV microtracer technique to drive formulation optimisation
Vanessa Zann, Paul Dickinson, Wang Wang Lee, George Kirk, Owen Jones, Andy Gray, Davindera Singh Sanghera, Mark Seymour, Jo Collier, Lloyd Stevens, Julie Dent

Strategy: Use IV microtracer techniquer to de risk compounds with PK issues and drive formulation development

More Information
<< 1 2 3 4 5 6 7 >>
Showing Results 31 - 40 of 109
Scientific News
Animal Testing can Mislead Drug Discovery and Development
Several blockbuster drugs would not be on the market, if scientists had relied solely on drug-uptake in animal trials, according to new research.
Marijuana Compound May Offer Treatment for AD
Extremely low levels of the compound in marijuana known as delta-9-tetrahydrocannabinol, or THC, may slow or halt the progression of Alzheimer’s disease.
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.
ADME of Antibody-Maytansinoid Conjugates
Continued understanding of the ADME properties of ADCs entering clinical evaluations should provide additional insight into attributes that may be necessary for clinical success.
Epigenetic Regulation of ADME-Related Genes
The promise of epigenetic research is its potential to identify additional sources of inter individual variability in drug disposition and response.
NIST Instrument Enables High-speed Chemical Imaging of Tissues
Researchers have demonstrated a dramatically improved technique for analyzing biological cells and tissues based on characteristic molecular vibration "signatures."
Finding Could Revolutionize Drug Discovery
A study by researchers at IRB Barcelona reveals the existence of information highways that connect and correlate distant sites within a single protein.
Researchers Develop ‘Onion’ Vesicles for Drug Delivery
University of Pennsylvania researchers have shown that dendrimer-based vesicles self-assemble with concentric layers of membranes, much like an onion.
Validation of Drug Toxicity Prediction using DiscoveRx Model
BioMAP® Systems was shown to identify important safety aspects of drugs and chemicals more efficiently and accurately than can be achieved by animal testing.
System 'Prints' Precise, Tailored Drug Dosages
The new approach uses a combination of data and mathematics to determine the precise dosage.
Skyscraper Banner
Skyscraper Banner
Follow TechNetcom1 on Twitter
Technology Networks Ltd. on LinkedIn
Go to LabTube.tv