|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.
|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.
|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.
|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.
|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
|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.
|Alignment of 1H-NMR data using a Generalized Fuzzy Hough Transform|
Erik Alm, Leonard Csenki, Ralf J.O. Torgrip, K. Magnus Åberg, Lars I. Nord, Ina Schuppe-Koistinen and Johan Lindberg
In metabolic profiling, multivariate data analysis techniques are used to interpret 1D 1H–NMR data. Multivariate data analysis techniques require that peaks are located in the same variables in every spectrum – this requirement is not met in native NMR spectra. Current state-of-the-art alignment algorithms are unable to align peaks when the spatial order of the peaks changes. We present the Fuzzy Generalized Hough Transform alignment which solves the alignment problem.
|Alteration of urinary metabolic profile in rats treated with methylmercury|
Pierre Ayotte, Dinesh Kumar, Pierre-Yves Tremblay, Xiaolei Jin, Sevini Shahbaz, Rekha Mehta, Hing Man Chan, and Oliver Fiehn
A metabolomic approach was used to detect changes in urinary metabolic profile of rats treated orally with methylmercury (MeHg), a ubiquitous fish contaminant with well known neurotoxic properties. An aliquot of urine was collected on day 14, extracted and the extract successively methoxymated and trimethylsilylated prior to analysis by GC/TOF-MS. Results indicate that several metabolic pathways were altered by MeHg treatment, including urea cycle, glutathione metabolism and amino acid degradati
|Metabolite profiling of sesquiterpene lactones and phenolics of bioactive extracts from Asteraceae medicinal plants by HPLC-UV-MS|
Gobbo-Neto, L.; Silva, V.C.; Passoni, F.D.; Chagas-Paula, D.A.; Oliveira, R.B.; Da Costa, F.B.
Metabolite profiling (HPLC-UV-MS) was performed for extracts from Tithonia diversifolia (Td) and Smallanthus sonchifolius (Ss) leaves [aqueous crude (ACE); leaf rinse (LRE); 70%MeOH rinsed leaves (GFE)]. LREs presented mainly sesquiterpene lactones (SLs) and flavonoids. FGEs and ACEs presented mainly chlorogenic acids. SLs were not detected in GFEs but traces were detected in ACEs. All extracts presented anti-inflammatory potential. LREs were highly toxic while GFEs did not presented significant