Search Results - "Caldwell, Gary W."

Inter-laboratory reproducibility of an untargeted metabolomics GC–MS assay for analysis of human plasma by Lin, Yanping, Caldwell, Gary W., Li, Ying, Lang, Wensheng, Masucci, John

“…There is a long-standing concern for the lack of reproducibility of the untargeted metabolomic approaches used in pharmaceutical research. Two types of human…”
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Can Untargeted Metabolomics Be Utilized in Drug Discovery/Development? by Caldwell, Gary W, Leo, Gregory C

“…Untargeted metabolomics is a promising approach for reducing the significant attrition rate for discovering and developing drugs in the pharmaceutical…”
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An In Vivo Rat α-D-glucose Stable Isotope Homeostasis Drug Discovery Screen: A Targeted Metabolomics Approach by Caldwell, Gary W, Lang, Wensheng

“…We have developed a targeted metabolomics screen which consists of using two isotopically labeled glucose compounds to conduct a dual oral glucose tolerance…”
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The current status of time dependent CYP inhibition assay and in silico drug-drug interaction predictions by Yan, Zhengyin, Caldwell, Gary W

“…Various CYP time-dependent inhibition (TDI) assays have been widely implemented in drug discovery and development which has led to great success in positively…”
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The use of stable isotope-labeled glycerol and oleic acid to differentiate the hepatic functions of DGAT1 and -2 by Qi, Jenson, Lang, Wensheng, Geisler, John G., Wang, Ping, Petrounia, Ioanna, Mai, Selyna, Smith, Charles, Askari, Hossein, Struble, Geoffrey T., Williams, Robyn, Bhanot, Sanjay, Monia, Brett P., Bayoumy, Shariff, Grant, Eugene, Caldwell, Gary W., Todd, Matthew J., Liang, Yin, Gaul, Micheal D., Demarest, Keith T., Connelly, Margery A.

“…Diacylglycerol acyltransferase (DGAT) catalyzes the final step in triglyceride (TG) synthesis. There are two isoforms, DGAT1 and DGAT2, with distinct protein…”
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Stable-Isotope Trapping and High-Throughput Screenings of Reactive Metabolites Using the Isotope MS Signature by Yan, Zhengyin, Caldwell, Gary W

“…A highly efficient method has been developed to detect and identify reactive metabolites, using stable-isotope trapping combined with ESI-MS/MS neutral loss…”
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Unbiased High-Throughput Screening of Reactive Metabolites on the Linear Ion Trap Mass Spectrometer Using Polarity Switch and Mass Tag Triggered Data-Dependent Acquisition by Yan, Zhengyin, Caldwell, Gary W, Maher, Noureddine

“…Constant neutral loss (CNL) and precursor ion (PI) scan have been widely used for the in vitro screening of glutathione conjugates derived from reactive…”
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A novel method for determination of drug distribution in rat brain tissue sections by LC/MS/MS: functional tissue microanalysis by Masucci, John A, Mahan, Andrew D, Kwasnoski, Joseph D, Caldwell, Gary W

“…Determination of drug distribution in brain and other tissues is important in pharmaceutical research. Tissue drug levels need to be determined routinely as…”
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Small molecule compound logistics outsourcing--going beyond the "thought experiment" by Ramsay, Devon L, Kwasnoski, Joseph D, Caldwell, Gary W

“…Increasing pressure on the pharmaceutical industry to reduce cost and focus internal resources on "high value" activities is driving a trend to outsource…”
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Isobaric metabolite interferences and the requirement for close examination of raw data in addition to stringent chromatographic separations in liquid chromatography/tandem mass spectrometric analysis of drugs in biological matrix by Yan, Zhengyin, Maher, Noureddine, Torres, Rhoda, Cotto, Carlos, Hastings, Becki, Dasgupta, Malini, Hyman, Rolanda, Huebert, Norman, Caldwell, Gary W.

“…In addition to matrix effects, common interferences observed in liquid chromatography/tandem mass spectrometry (LC/MS/MS) analyses can be caused by the…”
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Detection of a novel reactive metabolite of diclofenac : Evidence for CYP2C9-mediated bioactivation via arene oxides by ZHENGYIN YAN, JIAN LI, HUEBERT, Norman, CALDWELL, Gary W, YANMING DU, HUA ZHONG

“…A new glutathione adduct (M4) was tentatively identified, likely as 2'-hydroxy-3'-(glutathione-S-yl)-monoclofenac, using liquid chromatography-tandem mass…”
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High-content assays for evaluating cellular and hepatic diacylglycerol acyltransferase activity by Qi, Jenson, Lang, Wensheng, Giardino, Edward, Caldwell, Gary W., Smith, Charles, Minor, Lisa K., Darrow, Andrew L., Willemsens, Gustaaf, DeWaepenaert, Katharina, Roevens, Peter, Linders, Joannes T.M., Liang, Yin, Connelly, Margery A.

“…Acyl-CoA:diacylglycerol acyltransferase (DGAT) catalyzes the terminal step in triglyceride (TG) synthesis using diacylglycerol (DAG) and fatty acyl-CoA as…”
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In silico tools used for compound selection during target-based drug discovery and development by Caldwell, Gary W

“…The target-based drug discovery process, including target selection, screening, hit-to-lead (H2L) and lead optimization stage gates, is the most common…”
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BIOACTIVATION OF 4-METHYLPHENOL (p-CRESOL) VIA CYTOCHROME P450-MEDIATED AROMATIC OXIDATION IN HUMAN LIVER MICROSOMES by ZHENGYIN YAN, ZHONG, H. Marion, MAHER, Noureddine, TORRES, Rhoda, LEO, Gregory C, CALDWELL, Gary W, HUEBERT, Norman

“…It has previously been proposed that 4-methylphenol ( p -cresol) is metabolically activated by oxidation of the methyl group to form a reactive quinone…”
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Biotransformation of Geldanamycin and 17-Allylamino-17-Demethoxygeldanamycin by Human Liver Microsomes: Reductive versus Oxidative Metabolism and Implications by Lang, Wensheng, Caldwell, Gary W, Li, Jian, Leo, Gregory C, Jones, William J, Masucci, John A

“…Comparative metabolite profiling of geldanamycin and 17-allylamino-17-demethoxygeldanamycin (17AAG) using human liver microsomes in normoxia and hypoxia was…”
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An unusual intramolecular transfer of the fluorobenzyl cation between two remote amidic nitrogen atoms induced by collision in the gas phase by Yan, Zhengyin, Tounge, Brett, Caldwell, Gary W.

“…A highly unusual rearrangement in collision‐induced dissociation mass spectrometry is reported that involves intramolecular transfer of the fluorobenzyl cation…”
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ADME optimization and toxicity assessment in early- and late-phase drug discovery by Caldwell, Gary W, Yan, Zhengyin, Tang, Weimin, Dasgupta, Malini, Hasting, Becki

“…Integrating physicochemical, drug metabolism, pharmacokinetics, ADME, and toxicity assays into drug discovery in order to reduce the attrition rates in…”
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Liquid chromatographic and tandem mass spectrometric assay for evaluation of in vivo inhibition of rat brain monoamine oxidases (MAO) A and B following a single dose of MAO inhibitors: application of biomarkers in drug discovery by Lang, Wensheng, Masucci, John A., Caldwell, Gary W., Hageman, William, Hall, Jeffrey, Jones, William J., Rafferty, Bryan M.

“…A simple and selective assay for the evaluation of in vivo inhibition of rat brain monoamine oxidases (MAO) A and B following a single dose of MAO inhibitors…”
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Metabolic tracing of monoacylglycerol acyltransferase-2 activity in vitro and in vivo by Qi, Jenson, Lang, Wensheng, Connelly, Margery A, Du, Fuyong, Liang, Yin, Caldwell, Gary W, Martin, Tonya, Hansen, Michael K, Kuo, Gee-Hong, Gaul, Michael D, Pocai, Alessandro, Lee, Seunghun

“…Monoacylglycerol acyltransferase 2 (MGAT2) catalyzes the synthesis of diacylglycerol (DAG) from free fatty acids (FFA) and sn-monoacylglycerol (MG), the two…”
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Use of stable isotope labeled probes to facilitate liquid chromatography/mass spectrometry based high-throughput screening of time-dependent CYP inhibitors by Dasgupta, Malini, Tang, Weimin, Caldwell, Gary W., Yan, Zhengyin

“…Inhibition curve shift is a commonly used approach for screening of time‐dependent CYP inhibitors which requires parallel paired incubations to obtain two…”
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