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Monday, September 22, 2014
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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.

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.

The LAB2LAB™Advantage
Dr Brian Everatt1 C.Chem., FRSC, Simon Tullett2

Lab2Lab is a novel approach to submitting and transporting samples for analysis across an entire site. Sample tubes are registered and methods selected, an ELN reference is assigned and the sample tube is placed into the “Sender”. The system transports the samples using low pressure compressed air and directs them to the most appropriate analytical instrumentation available. The analytical results are then automatically returned to the originators ELN.

QSAR Model of Regioselectivity of Metabolism in Human Liver Microsomes: Development, Validation, Comparison and Adaptation to Novel Compounds
Justas Dapkunas, Andrius Sazonovas and Pranas Japertas

Analytical identification of metabolites for a drug candidate is usually a time consuming and low-throughput task which is performed only in late drug development phases. Therefore the ability to predict possible sites of human liver microsomal metabolism using in silico techniques would be highly beneficial for any medicinal chemist.

Ensuring the Quality of Registered Compounds in a Drug Discovery Environment – A Multidisciplinary Approach
Ryan Sasaki and Tara Sinclair

Lexicon Pharmaceuticals have demonstrated that a practical automated verification system using HPLC, LC/MS, and 1D and 2D NMR can be implemented in an industrial/pharmaceutical environment. This system has proven to be robust, and provides added value to compound collection integrity and quality.

Synthesis and Biological Evaluation of Novel Quinol dimethyl ethers as Potential Anticancer and Antimicrobial Agents
Ibrahim Chaaban, El Sayeda M. El Khawass, Mona A. Mahran, Heba A. Abd El Razik1, Nehad S. El Salamouni, Abeer E. Abdel Wahab

As a part of an ongoing research program devoted to the finding of new structural leads with potential chemotherapeutic activities, particular attention has been given to the pronounced anticancer activity of several quinol dimethyl ethers. Several analogs incorporating the above-mentioned quinol dimethyl ether counterpart together with a pyrazole moiety exhibited a potential antitumor activity.

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

Addressing the challenges of poor solubility: Rapid development and clinical evaluation of a lipid based formulation to enhance oral bioavailability of amuvatinib (MP-470)
P.D. Scholes, J. McDermott, J. Vertommen, J-L Colin, G Choy, M Azab, R Joshi and S. Redkar

Physiochemical and biopharmaceutical properties of new chemical entities are presenting increasing challenges to successful oral drug delivery. Here we present data on amuvatinib, a novel multi-targeted tyrosine kinase inhibitor specifically designed to be a potent inhibitor of mutant c-Kit and PDGFRalpha.

Elucidation of the Relative Bioavailability of a Drug Candidate from Different Regions of the Human Gastrointestinal Tract
David Harris, Ph.d. , Joanne Collier, MBCHB, Alyson Connor, Ph. D. , Tomoko Freshwater, Ph. D. , David Goldfarb, Ph. D. , Ann Horowitsz Ph. D. , Xuewen Ma, Ph. D. , Paul Statkevich, Ph. D.

This poster describes a pharmacokinetic study to investigate the relative absorption of an NCE from different regions of the human gastrointestinal tract, to support potential development of a sustained-release formulation.

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Showing Results 41 - 50 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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