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Improved Ligation Specificity with Chemically Modified Ligation Components
Sabrina Shore, Alexandre Lebedev, Elena Hidalgo Ashrafi, Gerald Zon, Natasha Paul, Richard Hogrefe

Ligases are gaining utility in molecular biology applications, such as nucleotide sequence detection, single nucleotide polymorphism (SNP) detection, protein detection and “next generation” sequencing by ligation.

Novel Antimalarial Drug Candidates Generated In Silico by Analysis of Public HTS Data
Robert Fraczkiewicz, Michael S. Lawless, Robert D. Clark, and Walter S. Woltosz

This research aims to provide proof-in-principle that in silico tools could be applied to public data so as to efficiently identify active chemistry with good ADMET properties.

Finally, a User-Friendly Way of Computing and Presenting Individual Group Contributions to Polyprotic Ionization of Drugs
Robert Fraczkiewicz, Marvin Waldman, Robert D. Clark

It is tempting to “assign” the macroscopic ionization constants (apparent pKa‘s obtained from titration experiments) of molecules to specific ionizable groups; however, this is strictly appropriate only in the case of monoprotic molecules.

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.

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Showing Results 61 - 70 of 182
Scientific News
Allergy Drug Inhibits Hepatitis C in Mice
NIH study suggests alternative drug to treat virus.
Saccharin Shows Promise as Cancer Inhibitor
Researchers have found that the artificial sweetener can inhibit cancer cell growth.
Treating Canine Periodontal Disease
The class of compounds, designed to resolve inflammation, has potential to treat chronic disease in animals and humans.
‘Warhead’ Molecule Targets Deadly Bacteria
Boston college chemists target bacterial lipids to label deadly bacteria, spare healthy cells.
Garlic Could Aid Cystic Fibrosis Fight
A chemical in garlic kills bacteria that cause deadly infections in people with cystic fibrosis, University of Edinburgh research shows.
UGA Researchers Discover Potential Treatment for Drug-resistant Tuberculosis
Researchers have developed a new small molecule drug as a treatment against multi-drug resistant tuberculosis.
A Protein's Novel Role In Several Types Of Cancers Discovered
Stanford ChEM-H scientists are helping to develop a novel cancer therapy based on a new finding of a protein that inadvertently promotes cancer growth.
Cancer Treatment with KU Origins Enters Second Clinical Trial
Cleave Biosciences has begun a Phase 1 clinical trial to evaluate CB-5083.
Grant will Help Develop More Powerful Disinfectants
$200,000 grant awarded to develop the next generation of antibacterial cleansers and disinfectants.
Artificially-intelligent Robot Scientist ‘Eve’ Could Boost Search for New Drugs
Eve, an artificially-intelligent ‘robot scientist’ could make drug discovery faster and much cheaper, say researchers writing in the Royal Society journal Interface.
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