Research Topics
| Richard D BegerSummaryAffiliation: Food and Drug Administration Country: USA Publications
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Detail Information
Publications
Computational modeling of biologically active molecules using NMR spectraRichard D Beger
Division of Systems Toxicology, National Center for Toxicological Research, Food and Drug Administration, Jefferson, AR 72079, USA
Drug Discov Today 11:429-35. 2006..3D-QSDAR modeling could be useful for estimating chemical toxicity, risk assessment of environmental contaminants and drug lead-compound identifications...
Metabonomics of acute kidney injury in children after cardiac surgeryRichard D Beger
Division of Systems Toxicology, United States Food and Drug Administration, National Center for Toxicological Research, Jefferson, AR 72079, USA
Pediatr Nephrol 23:977-84. 2008..90 and specificity was 0.95 for a cut-off value of 24 ng/microl for HVA-SO4 at 12 h after surgery. We concluded that urinary HVA-SO4 represents a novel, sensitive, and predictive early biomarker of AKI after pediatric cardiac surgery...- Evaluations of the trans-sulfuration pathway in multiple liver toxicity studiesLaura K Schnackenberg
Division of Systems Toxicology, National Center for Toxicological Research, Food and Drug Administration, FDA, Jefferson, AR 72079, USA
Toxicol Appl Pharmacol 235:25-32. 2009..The metabolic and transcriptomic results show that the trans-sulfuration pathway from SAMe to glutathione was disturbed due to the administration of heptatotoxicants... - Metabolomics approaches for discovering biomarkers of drug-induced hepatotoxicity and nephrotoxicityRichard D Beger
Division of Systems Toxicology, National Center for Toxicological Research, Food and Drug Administration, Jefferson, AR 72079 9502, USA
Toxicol Appl Pharmacol 243:154-66. 2010..Analytical platforms for metabolomics, chemometrics for mining metabolomics data and the applications of the metabolomics technologies are covered in detail with emphasis on recent work in the field... - Cambridge Healthtech Institute's 7th Annual, identifying and validating metabolic markers for drug development and clinical studiesRichard D Beger
National Center for Toxicological Research, Jefferson, AR 72079, USA
Expert Rev Mol Diagn 7:113-5. 2007 - Modeling and assaying dioxin-like biological effects for both dioxin-like and certain non-dioxin-like compoundsJon G Wilkes
Division of Systems Toxicology, Department of Biostatistics, University of Arkansas for Medical Sciences, Little Rock 72205 7199, USA
Toxicol Sci 102:187-95. 2008..It suggested that in silico and in vitro nomination protocols may facilitate practical risk assessment when chemical family members exhibit different degrees of toxicity operating via a common mechanism... - Studies of acetaminophen and metabolites in urine and their correlations with toxicity using metabolomicsJinchun Sun
Division of Systems Toxicology, National Center for Toxicological Research, Food and Drug Administration, Jefferson, AR 72079, USA
Drug Metab Lett 3:130-6. 2009..The potential toxicity of a drug can be assessed through the study of the drug's metabolite profiles... - Metabonomics evaluation of urine from rats given acute and chronic doses of acetaminophen using NMR and UPLC/MSJinchun Sun
Division of Systems Toxicology, National Center for Toxicological Research, Food and Drug Administration, Jefferson, AR 72079, USA
J Chromatogr B Analyt Technol Biomed Life Sci 871:328-40. 2008..Similar patterns of metabolic changes in response to acute or chronic dosing suggest similar detoxification and recovery mechanisms following APAP administration... - Predicting toxic equivalence factors from 13C nuclear magnetic resonance spectra for dioxins, furans, and polychlorinated biphenyls using linear and nonlinear pattern recognition methodsDan A Buzatu
Division of Chemistry, National Center for Toxicological Research, U S Food and Drug Administration, Jefferson, Arkansas 72079, USA
Environ Toxicol Chem 23:24-31. 2004..The QSDAR models provide a rapid, simple way to model the toxicity of dioxin and dioxin-like compounds... - Comparative structural connectivity spectra analysis (CoSCoSA) models of steroid binding to the corticosteroid binding globulinRichard D Beger
Division of Chemistry, National Center for Toxicological Research, Food and Drug Administration, Jefferson, Arkansas 72079 9502, USA
J Chem Inf Comput Sci 42:1123-31. 2002.... - Combining NMR spectral and structural data to form models of polychlorinated dibenzodioxins, dibenzofurans, and biphenyls binding to the AhRRichard D Beger
Division of Chemistry, National Center for Toxicological Research, Food and Drug Administration, Jefferson, AR 72079, USA
J Comput Aided Mol Des 16:727-40. 2002..80. Another CoSCoSA model for all 52 compounds had an r2 of 0.85 and an average q(2)2 of 0.52. Major benefits of CoSCoSA modeling include ease of development since the technique does not use molecular docking routines... - Models of steroid binding based on the minimum deviation of structurally assigned 13C NMR spectra analysis (MiDSASA)Richard D Beger
Division of Chemistry, National Center for Toxicological Research, Food and Drug Administration, Jefferson, Arkansas 72079 9502, USA
J Chem Inf Comput Sci 44:1489-96. 2004..88. A MiDSASA template model for 50 steroids binding the aromatse enzyme based on the average activity of the four nearest compounds had a correlation of 0.71... 
Metabonomics evaluations of age-related changes in the urinary compositions of male Sprague Dawley rats and effects of data normalization methods on statistical and quantitative analysisLaura K Schnackenberg
National Center for Toxicological Research NCTR, Jefferson, AR 72079, USA
BMC Bioinformatics 8:S3. 2007..Additionally, the effects of age on the metabolic profiles were examined by both NMR and UPLC/MS analyses...- Age-related differences in susceptibility to toxic effects of valproic acid in ratsParvaneh Espandiari
FDA, Center for Drug Evaluation and Research, Silver Spring, MD 20993, USA
J Appl Toxicol 28:628-37. 2008..In conclusion, this study showed that the vulnerability profile of each age group was different indicating that a multi-age pediatric animal model is appropriate to assess more completely age-dependent changes in drug toxicity... - Study of valproic acid-induced endogenous and exogenous metabolite alterations using LC-MS-based metabolomicsJinchun Sun
Division of Systems Toxicology, National Center for Toxicological Research, US FDA, Jefferson, AR, USA
Bioanalysis 2:207-16. 2010..An LC-MS-based metabolomics approach was undertaken in order to detect urinary VPA metabolites and to discover early biomarkers of the adverse effects induced by VPA... - Metabolomics evaluation of hydroxyproline as a potential marker of melamine and cyanuric acid nephrotoxicity in male and female Fischer F344 ratsLaura K Schnackenberg
Division of Systems Biology, National Center for Toxicological Research, US FDA, Jefferson Laboratories, Jefferson, AR 72079, USA
Food Chem Toxicol 50:3978-83. 2012..Hydroxyproline may be a noninvasive urinary biomarker for detection of acute kidney injury potentially associated with kidney fibrosis... - Serum metabolomic profiles from patients with acute kidney injury: a pilot studyJinchun Sun
Division of Systems Biology, National Center for Toxicological Research, US FDA, Jefferson, AR 72079, USA
J Chromatogr B Analyt Technol Biomed Life Sci 893:107-13. 2012..The results of this pilot study demonstrate the utility of metabolomics in the discovery of novel serum biomarkers that can facilitate the diagnosis and determine prognosis of AKI in hospitalized patients... - Metabolomics techniques in nanotoxicology studiesLaura K Schnackenberg
Division of Systems Biology, National Center for Toxicological Research, US Food and Drug Administration, Jefferson, AR, USA
Methods Mol Biol 926:141-56. 2012..Furthermore, metabolomics can provide mechanistic insight into nanotoxicity. This chapter focuses on the application of both LC/MS and NMR-based metabolomics approaches to study the potential toxicity of nanoparticles... - Assessment of usnic acid toxicity in rat primary hepatocytes using ¹³C isotopomer distribution analysis of lactate, glutamate and glucoseBakary J Sonko
Division of Systems Biology, National Center for Toxicological Research, US FDA, Jefferson, AR 72079, USA
Food Chem Toxicol 49:2968-74. 2011..Augmented oxidative phosphorylation at the lower UA concentrations may be an adaptive response by the cells to compensate for diminished mitochondrial function... - Improving proton MR spectroscopy of brain tissue for noninvasive diagnosticsPierre Alusta
Division of Systems Biology, National Center for Toxicological Research, US FDA, Jefferson, Arkansas 72079, USA
J Magn Reson Imaging 32:818-29. 2010..To examine preprocessing methods affecting the potential use of Magnetic Resonance Spectroscopy (MRS) as a noninvasive modality for detection and characterization of brain lesions and for directing therapy progress... - Whole-molecule calculation of log p based on molar volume, hydrogen bonds, and simulated 13C NMR spectraLaura K Schnackenberg
Division of Systems Toxicology, National Center for Toxicological Research, Food and Drug Administration, Jefferson, Arkansas 72079, USA
J Chem Inf Model 45:360-5. 2005..88. The average r2 for 10 training models of Log P made from 90% of the data was 0.87+/-0.01. The average q2 for 10 leave-10%-out cross-validation test sets was 0.87+/-0.05... - In vitro cytotoxicity of nonpolar constituents from different parts of kava plant (Piper methysticum)Jin Woo Jhoo
National Center for Toxicological Research, U S Food and Drug Administration, HFT 230, 3900 NCTR Road, Jefferson, Arkansas 72079, USA
J Agric Food Chem 54:3157-62. 2006..The identity of the compound was confirmed by (1)H and (13) C NMR and MS techniques... - An integrated study of acute effects of valproic acid in the liver using metabonomics, proteomics, and transcriptomics platformsLaura K Schnackenberg
Division of Systems Toxicology, National Center for Toxicological Research, Food and Drug Administration, Jefferson, Arkansas, 72079, USA
OMICS 10:1-14. 2006..The combined studies indicated a perturbation in the glycogenolysis pathway following administration of VPA... - The use of carbon thirteen nuclear magnetic resonance spectra to predict dioxin and furan binding affinities to the aryl hydrocarbon receptorLindsay Shade
Division of Chemistry, National Center for Toxicological Research, U.S. Food and Drug Administration, Jefferson, Arkansas 72079, USA
Environ Toxicol Chem 22:501-9. 2003..The SDAR models provide a rapid, simple, and valid way to model the PCDF and PCDD binding activity in relation to the AhR... - The utility of a rodent model in detecting pediatric drug-induced nephrotoxicityParvaneh Espandiari
Center for Drug Evaluation and Research, Silver Spring, Maryland 20993, USA
Toxicol Sci 99:637-48. 2007.... - Comparative structural connectivity spectra analysis (CoSCoSA) models of steroids binding to the aromatase enzymeRichard D Beger
Division of Chemistry, National Center for Toxicological Research, Food and Drug Administration, Jefferson, AR 72079, USA
J Mol Recognit 15:154-62. 2002.... - Monitoring the health to disease continuum with global metabolic profiling and systems biologyLaura K Schnackenberg
Division of Systems Toxicology, National Center for Toxicological Research, Food and Drug Administration, Jefferson, AR 72079 9502, USA
Pharmacogenomics 7:1077-86. 2006..Metabolomics and nutrition will lay the groundwork for the application of personalized medicine in the 21st century... - Identification of metabolite profiles of the catechol-O-methyl transferase inhibitor tolcapone in rat urine using LC/MS-based metabonomics analysisJinchun Sun
Division of Systems Toxicology, National Center for Toxicological Research, FDA, Jefferson, AR 72079, USA
J Chromatogr B Analyt Technol Biomed Life Sci 877:2557-65. 2009.... - In vitro metabolism of hyperforin in rat liver microsomal systemsYanyan Cui
National Center for Toxicological Research, Food and Drug Administration, 3900 NCTR Road, Jefferson, AR 72079, USA
Drug Metab Dispos 32:28-34. 2004.... - The role of metabolic biomarkers in drug toxicity studiesLaura K Schnackenberg
Division of Systems Toxicology, National Center for Toxicological Research, Food and Drug Administration, Jefferson, AR, 72079 9502
Toxicol Mech Methods 18:301-11. 2008..This review focuses on the advantages of metabolic profiling for drug toxicity studies... - Metabolic activation of the tumorigenic pyrrolizidine alkaloid, monocrotaline, leading to DNA adduct formation in vivoYu-ping Wang
Division of Biochemical Toxicology, National Center for Toxicological Research, 3900 NCTR Road, Jefferson, AR 72079, USA
Cancer Lett 226:27-35. 2005.... - Gene expression profiles in fathead minnow exposed to 2,4-DNT: correlation with toxicity in mammalsHenri Wintz
Department of Nutritional Sciences and Toxicology, Morgan Hall and Berkeley Institute of the Environment, University of California, Berkeley, California 94720, USA
Toxicol Sci 94:71-82. 2006..We present possible modes of action of 2,4-DNT toxicity and suggest that fathead minnow cDNA microarrays can be useful to identify mechanisms of toxicity in fish and as a predictive tool for toxicity in mammals... - Metabolomics as an extension of proteomic analysis: study of acute kidney injuryDidier Portilla
Department of Nephrology, University of Arkansas for Medical Sciences, Little Rock, AR 72205, USA
Semin Nephrol 27:609-20. 2007..These studies serve to illustrate that metabolomic studies add insight into pathophysiology not provided by proteomic analysis alone... - Differential gene expression in mouse liver associated with the hepatoprotective effect of clofibrateJeffrey S Moffit
University of Connecticut, Department of Pharmaceutical Sciences, Storrs, CT 06269, USA
Toxicol Appl Pharmacol 222:169-79. 2007..HPLC-ESI/MS/MS analysis of liver extracts indicates that enhanced vanin-1 gene expression results in elevated cystamine levels, which could be mechanistically associated with CFB-mediated hepatoprotection... - Summary recommendations for standardization and reporting of metabolic analysesJohn C Lindon
Biological Chemistry, Biomedical Sciences Division, Imperial College London, Sir Alexander Fleming Building, South Kensington, London SW7 2AZ, UK
Nat Biotechnol 23:833-8. 2005