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Analyzing Molecular Polar Surface Descriptors to Predict Blood-Brain Barrier Permeation
Sergey Shityakova, Winfried Neuhausa, Thomas Dandekarc and Carola Förstera

Permeation of active drugs across the vascular brain endothelium into the central nervous system (CNS) is controlled by the blood-brain barrier (BBB). Some molecular quantities like polar surface (PS) descriptors are of key interest to medicinal chemists to predict the BBB permeation fate for different drug-like chemical compounds.

Classification of Drugs by CNS Access: An Insight from Quantitative Blood-Brain Transport Characteristics
Kiril Lanevskij, Pranas Japertas and Remigijus Didziapetris, Advanced Chemistry Development Inc.

Aim of this study was to identify relationships between quantitative blood-brain transport parameters and qualitative data indicating whether the compound penetrates into the brain efficiently enough to exhibit action in the CNS.

An In Silico Test Battery for Rapid Evaluation of Genotoxic and Carcinogenic Potential of Chemicals
Kiril Lanevskij, Liutauras Juska, Justas Dapkunas, Andrius Sazonovas, Pranas Japertas and Remigijus Didziapetris, of ACD/Labs and Vilnius University

The FDA guidance for industry states impurities under the ICH threshold may be exaluated for genotoxicity and carcinogenicity. This study uses an expert system to detect mutagens and compounds labeled as potent carcinogens by the FDA.

UPLC-MS/MS for the Screening, Confirmation and Quantification of 32 Drugs Illegally Added to Herbal/Dietary Supplements for the Enhancement of Male Sexual Performance
Salman Azimi, Nayan Mistry and Michelle Wood

This poster outlines development of a novel screening method that is suitable for both the detection of known and unknown ED drugs and analogues. Comprehensive spectral data is collected and automatically compared to a prepared library if known drugs.

A Simple, Robust Automated Multiplexed Cell-Based Assay Process for the Assessment of Mitochondrial Dysfunction and Cytotoxicity
Brad Larson, Peter Banks, Tracy Worzella, Andrew Niles and Timothy Moeller

Recent studies have shown that an increasing number of drugs no longer on the market have negative effects on mitochondrial function in key organs such as the liver and heart. Therefore it is increasingly important to monitor the effects of lead compounds on mitochondrial function in relevant cell systems. The ability to incorporate a simple, rapid, multiplexed, predictive assay can make the detection of potential toxic effects easier to perform early on in the drug discovery process.

An Automated, Cell-based Platform for the Rapid Detection of Novel Androgen Receptor Modulators
Brad Larson, Bruce Sherf (INDIGO Biosciences), and Peter Banks

The Androgen Receptor (AR) is a member of the family of nuclear receptors responsive to steroid hormones. This poster aims to devise, validate and perform a preliminary automated HTS screening campaign to identify novel modulators of AR activity.

Validation of an Automated Cell-Based Bioluminescent TNFa Blocker Bioassay
Brad Larson, Tracy Worzella, Rich Moravec, Neal Cosby, Frank Fan, Teresa Surowy and Peter Banks

TNFa blocker biopharmaceuticals represent an important and successful class of protein drugs used in the treatment of several autoimmune diseases. Bioassays are indispensible tools in biopharmaceutical drug development and commercialization that are used to quantify biological activity and stability of drugs or drug candidates. The automation of these assays can serve to create an accurate, robust process which can allow the researcher to perform other more important functions.

Automation of a Generic Fluorescence Methyltransferase Activity Assay
X. Amouretti, P. Brescia, P. Banks, G. Prescott, Meera Kumar

Epigenetic processes are attracting considerable attention in drug discovery as their fundamental roles in controlling normal cell development and contributions to disease states become more clearly defined. This work combines a fluorescence-based assay with liquid handling and dispensing instrumentation and a multi-mode reader which can be used to monitor the biological activity of the histone methyltransferase (HMT) G9a, a model system.

Modeling Disposition of Sotalol following Intravenous and Oral Administration in Healthy Adult Subjects
S. Ray Chaudhuri, V. Lukacova and W. S. Woltosz

Sotalol is a non specific adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmia. Its absorption, distribution and systemic PK or, collectively, ‘disposition’ was modeled and simulated using GastroPlus™ v7.0. Biopharmaceutical properties were obtained from in silico predictions and in vitro measurements.

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Showing Results 91 - 100 of 209
Scientific News
Survey of New York City Soil Uncovers Medicine-Making Microbes
Microbes have long been an invaluable source of new drugs. And to find more, we may have to look no further than the ground beneath our feet.
Drug Design Strategy to Improve Breast Cancer Treatment
Scientists develop novel structure-based drug design strategy aimed at altering the basic landscape of hormone-driven breast cancer treatment.
`Molecular Commando’ Identified to Tackle Hypoxia Pathway
Scientists identify 'molecular commando' that can activate hypoxic response, which helps combat a number of conditions.
Peer Review is in Crisis, But Should be Fixed, Not Abolished
After the time to get the science done, peer review has become the slowest step in the process of sharing studies, and some scientists have had enough.
Two Antibiotics Fight Bacteria Differently Than Thought
Researchers discover that two widely prescribed antibiotics may fight bacteria differently than previously thought.
Drug Target for Gastrointestinal Stromal Tumors Identified
Researchers show the Hedgehog signaling pathway is central to the formation of gastrointestinal stromal tumors.
Structure of Primary Cannabinoid Receptor is Revealed
The findings provide key insights into how natural and synthetic cannabinoids including tetrahydrocannabinol —a primary chemical in marijuana—bind at the CB1 receptor to produce their effects.
Targeting Cannabinoid CB2 Receptors in the CNS
With endogenous cannabinoids considered as a potential target to combat CNS diseases, this article examines the role of CB2R could play in fighting some disorders.
3D-Printing in Science: Conference Co-Staged with LABVOLUTION
LABVOLUTION 2017 will have an added highlight of a simultaneous conference, "3D-Printing in Science".
Charles River Acquires Agilux
Enhances Charles River’s early-stage capabilities in bioanalytical services.
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