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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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Scientific News
Comparison of Caffeinated and Decaffeinated Coffee - Implications for Alzheimer's Disease
Researchers from the National University of Singapore successfully demonstrated the viability of GC-TOF-MS as an analytical platform for metabolomics analysis of coffee samples.
Single Enzyme is Necessary for Development of Diabetes
12-LO enzyme promotes the obesity-induced oxidative stress in the pancreatic cells.
A New Player in Lipid Metabolism Discovered
Specially engineered mice gained no weight, and normal counterparts became obese on the same high-fat, obesity-inducing Western diet.
UT Southwestern Researchers Uncover New Brain Pathways
New therapies for treating Type 2 diabetes and obesity.
Mass Spec-Based Metabolomics Workflows to Evaluate Plant Immunity
This article reviews metabolomics studies used to evaluate plant immunity with an emphasis on mass spectrometry in its many forms.
Assessing Anticancer Drugs Efficacy by Amino Acid Metabolomics
Researchers aimed to develop a method that determines the therapeutic efficacy of anticancer drugs based on the changes in amino acid metabolism at the cellular level.
Time Of Day Crucial to Accurately Test for Diseases
A new study published in PNAS has found that time of day and sleep deprivation have a significant effect on our metabolism.
When Drugs Do More Harm Than Good for Type 2 Diabetes Patients
Harm to quality of life outweighs benefits of treatment for older patients and those with negative feelings about side effects.
Inflammation in Fat Tissue Helps Prevent Metabolic Disease
The findings were first published online June 12 in Cell Metabolism.
Evaluating Acute Hydrogen Sulfide Poisoning in Rats through Serum Metabolomics
Through the use of GC/MS-based metabolomics, researchers have evaluated the effect of acute hydrogen sulfide poisoning on the metabolic profiles of rats.
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