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Thursday, February 23, 2012
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Transforming Analytical Data into Knowledge with Software for Metabolite Studies
Tara Sinclair, Graham A. McGibbon and Susan Ling

ACD/Labs has been developing specialized software for chemical and pharmaceutical research for over 16 years. Their expertise includes multi-technique, multi-instrument data handling, knowledge management of analytical and separations data, chemical drawing, and prediction software for a range of chemical properties as well as spectra and chromatograms.

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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.

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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.

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Analytical and Chemical Knowledge Management Software for Drug Metabolism Science
Graham A. McGibbon, Karim Kassam, and Susan Ling

Characterizing metabolite structures and metabolic pathways is essential to understanding the potential biological implications of compounds in drug discovery.

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Analytical and Chemical Knowledge Management Software for Drug Metabolism Science
Graham A. McGibbon, Karim Kassam, and Susan Ling

Characterizing metabolite structures and metabolic pathways is essential to understanding the potential biological implications of compounds in drug discovery.

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Development and Validation of a Novel Post-Thaw Recovery Media for Human Cryopreserved Hepatocytes
Jie Wang, Rongjun Zuo, Haiyan Xia, Sweta N. Parikh, Mercyanne Andes, Charles L. Crespi and Christopher J. Patten

BD Biosciences has developed and validated a new post-thaw recovery medium for human cryopreserved hepatocytes. The recovery medium maintains hepatocyte post-thaw functions while improving cell health and recovery. The newly developed recovery medium was optimized with BD Gentest™ human inducible cryohepatocytes for viability and recovery.

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Probabilistic Predictive Model of the Human Liver Microsomal Metabolism Regioselectivity
Justas Dapkunas, Andrius Sazonovas, 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.

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Fully Automated LC-MS/MS-based Determination of Bosentanand its Metabolites in Dried Blood Spots using the SCAP™ DBS System
Mirko Glinski, Norbert Ganz, Jasper Dingemanse, Laurent Nicolas and Werner Döbelin

Dried Blood Spot (DBS) analysis is a very promising alternative to conventional whole blood and plasma analysis used in drug discovery and development or later in therapeutic drug monitoring with well documented advantages.

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AN INTEGRATED 1H NMR, GC-MS AND HPLC-(ESI/TOF) BASED METABOLOMICS APPROACH TO THE STUDY OF ACUTE EXERCISE IN HUMAN SERUM METABOLOME

There is an increasing concern about the different response and effect that acute exercise induces on diabetic people and a novel insight into this effect can be performed using a metabolomic approach. Metabolomic is becoming widely spread used as a new and powerful tool for discerning significant changes at metabolic level. In this study we aimed to perform a non-targeted analysis and to identify metabolic differences arisen after 30 minutes of acute exercise in both young men suffering from Ty

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Nucleic Acid Reagents and Experimental Results in the NCBI Probe Database
Svetlana Iazvovskaia, Ilene Karsch Mizrachi, Kirill Rotmistrovsky, and Savani Tatake

Five years ago, the NCBI Probe database (ProbeDB) was established to provide a centralized archive of molecular probes used in biomedical applications. Currently ProbeDB contains around 10 million probes of 65 types including gene silencing agents, in situ hybridization probes, and probes for variation analysis and genome mapping. Presently, ProbeDB is the largest and most extensive database of this type available in public domain.

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Showing Results 1 - 10 of 50
Scientific News
Launch of DIRECT - An Innovative Medicines Initiative Project for Personalized Medicine in Diabetes
Academia and the pharmaceutical industry working together in the fight against diabetes.
Lipidomics Reveals Multiple Pathway Effects of a Multi-Components Preparation on Lipid Biochemistry in ApoE*3Leiden.CETP Mice
The study illustrates the power of lipidomics in unraveling intervention effects in helping to find new targets or ingredients for lifestyle-related metabolic abnormality.
Recent Advances of Metabolomics in Plant Biotechnology
This article describes the basic analytical advancements in plant metabolomics and bioinformatics and the application of metabolomics to the biological study of plants.
Metabolic Regulation in Progression to Autoimmune Diabetes
The findings from VTT Technical Research Centre of Finland indicate that autoimmune diabetes is preceded by a state of increased metabolic demands on the islets resulting in elevated insulin secretion.
Discovery of Early-Stage Biomarkers for Diabetic Kidney Disease using MS-Based Metabolomics
This study demonstrates the potential of multivariate data analysis and metabolomics in the field of diabetic complications.
Identification of N-Acetyltaurine as a Novel Metabolite of Ethanol through Metabolomics-Guided Biochemical Analysis
Researchers from the University of Minnesota have investigated the influence of ethanol on small-molecule metabolome and the role of CYP2E1 in ethanol-induced hepatotoxicity using LC-MS based metabolomics platform and Cyp2e1-null mouse model.
Analyzing and Mapping Sweat Metabolomics by High-Resolution NMR Spectroscopy
Researchers from the Russian Academy of Sciences have utilized high-resolution to NMR to study and identify the content of human sweat.
Spherix Announces Successful Completion of Important Toxicology Study of SPX-106
The company reported the successful completion of its 28-day rat toxicology. Results demonstrated an ample margin of safety with the dosing planned for the first-in-human study.
Identification of a New Plasma Biomarker of Alzheimer Disease using Metabolomics Technology
This study by researchers from Eisai Co Ltd suggests that plasma desmosterol could be become a powerful new specific biomarker for the early and easy Alzheimers Disease diagnosis.
Metabolomics Study of Stepwise Hepatocarcinogenesis from the Model Rats to Patients: Potential Biomarkers Effective for Small Hepatocellular Carcinoma Diagnosis
Results from the study indicate that this metabolomics method has the potential of finding biomarkers for the early diagnosis of HCC.
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