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Saturday, September 20, 2014
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High Throughput Polymer Latex Synthesis and Purification Process
Neil L. Campbell

Polymer latexes are essential components in a wide range of commercial products and formulations such as, paints, cosmetics, coatings, biotechnology and functionalised supports. Many difficulties are intrinsic in the implementation of polymer latex research, particularly in purification of the latex dispersions, making high throughput research in this area especially challenging.

Efficient discovery and optimization using high-throughput experimentation and Predictive Design Technology™
James N. Cawse

The new emphasis of high throughput experimentation is the discovery of “hits” by searching extensive experimental spaces. These have the issues of: • High-dimensions; • Synergies (nonlinear interactions) ; • Unpredictable behavior. ProtoLife Srl has developed Predictive Design Technology™ (PDT™) to deal with these issues using proprietary algorithms. It been successfully tested in complex experimental spaces involving drugs, catalysts, and formulations.

Lead Optimization Computational Protocol at PDB Scale to Rationally Optimize Attachments to a Given Kinase Inhibitor Scaffold
Moriaud F., Henry T., Adcock S.A., Vorotynsev A.M., Martin L., Doppelt O.

We’ve used MED-SuMo to query and mine the Protein’s Surface Chemical Functions surrounding fragments of PDB ligands, seeking similarities with the kinase of interest (Vegfr DFGout, pdb code 2oh4, ligand code GIG) and collecting a library of 1129 unique fragments positioned in the vegfr’s active site and annotated with the counts of contacts and h-bonds. With them we optimize a substructure of the GIG ligand to find others DFGout ligands.

Tackling the Problem of Hit Rate Enrichment by Virtual Screening: Quality-Driven Bioactive Conformations and Pharmacophore-Biased Creative Search
Nasonov, Anatoliy F., Pletnev Igor V.

Novel ChemoSoft(TM) software tools addressing the problem of generation of bioactive conformations and virtual screening hit rate enrichment have been created.

A new exposure system for the in vitro detection of GHz field effects on neuronal networks
Philipp J. Koester, Jan Sakowski, Werner Baumann, Hans-Walter Glocka, Jan Gimsa

Different ideas exist about possible targets for biological effects of electromagnetic fields (EMF). One of the favourite systems are the membranes of nerve cells, e.g. in the central nervous system. Our aim is to clarify whether EMF exposure may induce athermal effects. In the experiments, direct electrophysiological in vitro measurements are conducted on neuronal networks exposed to EMF, i.e. possible changes in the action potential patterns produced by the networks are detected. The technique

High Throughput In-silico Screening with flexible receptors
Horacio Emilio P´erez S´anchez, Bernhard Fischer, Holger Merlitz and Wolfgang Wenzel

For thymidine kinase (TK), 10 substrates are known along with their docked X-ray structures. The corresponding binding pockets differ among each other in their orientations of certain side-chains. We report attempts to include side-chain flexibility to our docking tool FlexScreen while screening the substrates against a database of 10000 ligands.

Microwave-Assisted Rapid Access to Bio-active Heterocycles
Vivek Polshettiwar and Rajender S. Varma

Environmentally benign protocols have been developed for the synthesis of various pharmaceutically active heterocycles namely 1,3,4-oxadiazoles, 1,3,4-thiadiazoles, 1,3-dioxanes, pyrazoles, hydrazones and 3,4-dihydropyrimidin-2(1H)-ones, which proceed under the influence of microwave irradiation and using eco-friendly conditions. These greener protocols were catalyzed efficiently by solid supported Nafion®NR50, phosphorus pentasulfide on alumina under solvent-free conditions.

Caveolin-1 Expression as a Possible Biomarker in Pancreatic Cancer Diagnosis
C. Tanase, E. Raducan, L. Albulescu, E. Codorean, M.I. Nicolescu, D.I. Popescu, M.L. Cruceru and A.C. Popa

Caveolin1 (Cav-1) function either as a tumor supressor or as a promoter of metastasis. Overexpresion of cav-1 was correlated with: tumoral grading, proliferration markers (Ki67, p53), serum tumor markers (CEA, CA19.9) and angiogenic markers (VEGF, bFGF).

New Accessories for High Throughput and Combinatorial Approach in a Microwave Batch Reactor
Alexander Stadler, Thomas Karner, Matthias Treu

A unique sealable well-plate system is introduced allowing screening reactions in a 8x6 well format with operation limits of 200°C and 20 bar and a reaction volume of 0.3 mL per well. An appropriate turntable enables to proceed up to 4 of these SiC well plates in one run resulting in 192 parallel reactions at a time. Reaction control is achieved by sensing the IR temperature of the plate surface.

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Showing Results 81 - 90 of 148
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.
Synthesis and Bioactivity of Analogues of Tropodithietic Acid
The study suggests that the sulfur atoms in the marine antibiotic TDA are not essential for bioactivity, but different modes of action for TDA and its sulfur-free analogue cannot be excluded.
Cancer-Fighting Drugs Might Also Stop Malaria Early
A number of compounds have been identified which could be used to fight malaria.
Collaboration Leads to Possible Shortcut to New Drugs
The reaction, reported in Science, demonstrates how a carboxylic acid can be transformed into a very reactive site through use of a novel photoredox catalyst.
Catalysts That Mimic Enzymes Could Revolutionize Pharmaceutical Manufacturing
Structures made of polymer chains allow the catalysts to work in water.
Discovery of How Taxol Works Could Lead to Better Anticancer Drugs
The drug’s interference with the normal function of microtubules could help in designing better anticancer drugs.
Chemists Discover Cancer Drug Candidate Structure
Chemists at The Scripps Research Institute have determined the correct structure of a highly promising anticancer compound approved by the U.S. FDA for clinical trials in cancer patients.
Novel Drug Targets for Allergy Identified
Researchers have identified several target molecules which are suitable for the development of new allergy drugs.
Drug Does Not Improve Set of Cardiovascular Outcomes for Diastolic Heart Failure
NIH-supported study finds drug does appear to reduce hospitalizations for diastolic heart failure.
Entirely Novel Strategy to Molecular Anticancer Therapy Tricks Malignant Cells
New drug prevents tumour growth by inhibiting the nucleotide sanitizing enzyme MTH1.
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