G. Caldwell

发表

Compound optimization in early- and late-phase drug discovery: acceptable pharmacokinetic properties utilizing combined physicochemical, in vitro and in vivo screens.

G. Caldwell, 2000, Current opinion in drug discovery & development.

In silico tools used for compound selection during target-based drug discovery and development

Gary W Caldwell, G. Caldwell, 2015, Expert opinion on drug discovery.

Applied Pharmacokinetics in Drug Development

D. Ritchie, Zhengyin Yan, G. Leo, 2003 .

Small Molecule Formulation Screening Strategies in Drug Discovery

Zhengyin Yan, G. Caldwell, J. Masucci, 2014 .

The current status of time dependent CYP inhibition assay and in silico drug-drug interaction predictions.

Gary W Caldwell, Zhengyin Yan, G. Caldwell, 2012, Current topics in medicinal chemistry.

CYP Time-Dependent Inhibition (TDI) Using an IC 50 Shift Assay with Stable Isotopic Labeled Substrate Probes to Facilitate Liquid Chromatography/Mass Spectrometry Analyses

Zhengyin Yan, G. Caldwell, 2014 .

Rapidly Distinguishing Reversible and Time-Dependent CYP450 Inhibition Using Human Liver Microsomes, Co-incubation, and Continuous Fluorometric Kinetic Analyses

Zhengyin Yan, G. Caldwell, 2014 .

ADME Optimization and Toxicity Assessment in Drug Discovery

G. Caldwell, 2016 .

General Guidelines for Setting Up an In Vitro LC/MS/MS Assay

G. Caldwell, J. Masucci, 2014 .

Stable-isotope trapping and high-throughput screenings of reactive metabolites using the isotope MS signature.

Gary W Caldwell, Zhengyin Yan, G. Caldwell, 2004, Analytical chemistry.

In Vitro Trapping and Screening of Reactive Metabolites Using Liquid Chromatography-Mass Spectrometry

Zhengyin Yan, G. Caldwell, 2014 .

BIOACTIVATION OF 4-METHYLPHENOL (p-CRESOL) VIA CYTOCHROME P450-MEDIATED AROMATIC OXIDATION IN HUMAN LIVER MICROSOMES

Zhengyin Yan, G. Leo, G. Caldwell, 2005, Drug Metabolism and Disposition.

High-content assays for evaluating cellular and hepatic diacylglycerol acyltransferase activity

M. Connelly, J. Linders, Charles D Smith, 2010, Journal of Lipid Research.

Unbiased high-throughput screening of reactive metabolites on the linear ion trap mass spectrometer using polarity switch and mass tag triggered data-dependent acquisition.

Zhengyin Yan, G. Caldwell, N. Maher, 2008, Analytical chemistry.

The use of the suicide CYP450 inhibitor ABT for distinguishing absorption and metabolism processes in in-vivo pharmacokinetic screens

D. Ritchie, G. Caldwell, J. Masucci, 2012, European Journal of Drug Metabolism and Pharmacokinetics.

Metabolism and excretion of the antiepileptic/antimigraine drug, topiramate in animals and humans

G. Leo, W. Wu, G. Caldwell, 2005, European Journal of Drug Metabolism and Pharmacokinetics.

Distribution and metabolism of the antipsychotic agent mazapertine succinate in rats.

G. Leo, G. Caldwell, A. Reitz, 2006, Journal of pharmaceutical and biomedical analysis.

Evaluation of the immobilized artificial membrane phosphatidylcholine. Drug discovery column for high-performance liquid chromatographic screening of drug-membrane interactions.

G. Caldwell, J. Masucci, M. Evangelisto, 1998, Journal of chromatography. A.

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.

Zhengyin Yan, G. Caldwell, N. Huebert, 2008, Rapid communications in mass spectrometry : RCM.

Cone voltage induced in-source dissociation of glucuronides in electrospray and implications in biological analyses.

Zhengyin Yan, G. Caldwell, J. Masucci, 2003, Rapid communications in mass spectrometry : RCM.

An unusual intramolecular transfer of the fluorobenzyl cation between two remote amidic nitrogen atoms induced by collision in the gas phase.

Zhengyin Yan, G. Caldwell, B. Tounge, 2012, Rapid communications in mass spectrometry : RCM.

Screening for reactive intermediates and toxicity assessment in drug discovery.

Zhengyin Yan, G. Caldwell, 2006, Current opinion in drug discovery & development.

DMD # 9274 1 N-Glucuronidation of the PDGF Receptor Tyrosine Kinase Inhibitor 6 , 7-( Dimethoxy-2 , 4-dihydroindeno [ 1 , 2-c ] pyrazol-3-yl )-( 3-fluoro-phenyl )-amine by Human UDP-Glucuronosyltransferases

C. Ho, G. Leo, D. Johnson, 2006 .

N-GLUCURONIDATION OF THE PLATELET-DERIVED GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITOR 6,7-(DIMETHOXY-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)-(3-FLUORO-PHENYL)-AMINE BY HUMAN UDP-GLUCURONOSYLTRANSFERASES

C. Ho, G. Leo, D. Johnson, 2006, Drug Metabolism and Disposition.

Metabolism profiling, and cytochrome P450 inhibition & induction in drug discovery.

G. Caldwell, Z. Yan, Z. Yan, 2001, Current topics in medicinal chemistry.

Using capillary electrophoresis/frontal analysis to screen drugs interacting with human serum proteins

G. Caldwell, J. Masucci, P. McDonnell, 1998, Electrophoresis.

Comparison of the retention behavior of beta-blockers using immobilized artificial membrane chromatography and lysophospholipid micellar electrokinetic chromatography.

J. Foley, G. Caldwell, J. Masucci, 1998, Journal of chromatography. A.

SN2 reactions in the gas phase. Temperature dependence of the rate constants and energies of the transition states. Comparison with solution

P. Kebarle, G. Caldwell, T. Magnera, 1984 .

Rapidly distinguishing reversible and irreversible CYP450 inhibitors by using fluorometric kinetic analyses

G. Caldwell, J. Masucci, Z. Yan, 2002, European Journal of Drug Metabolism and Pharmacokinetics.

Using affinity capillary electrophoresis to study the interaction of the extracellular binding domain of erythropoietin receptor with peptides.

L. Jolliffe, D. Johnson, G. Caldwell, 1999, Journal of biochemical and biophysical methods.

The use of stable isotope-labeled glycerol and oleic acid to differentiate the hepatic functions of DGAT1 and -2

H. Askari, J. Geisler, M. Connelly, 2012, Journal of Lipid Research.

The addition of carbanions to the carbonyl group in the gas phase

J. Bartmess, G. Caldwell, R. Hays, 1981 .

Multiple forms of prostate-specific antigen in serum: differences in immunorecognition by monoclonal and polyclonal assays.

B. Bluestein, G. Caldwell, A. M. Zhou, 1993, Clinical chemistry.

Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas-phase equilibria measurements

P. Kebarle, G. Caldwell, 1984 .

Electron affinities from electron-transfer equilibria: A−+B=A+B−

P. Kebarle, G. Caldwell, S. Chowdhury, 1985 .

Pyrolysis products in ion/molecule reactions. II. Amines, thiols, and esters

J. Bartmess, G. Caldwell, 1983 .

Equilibrium and double resonance in the unquenched mode in trapped ion cyclotron resonance spectrometry

J. Bartmess, G. Caldwell, 1981 .

Pyrolysis products in ion/molecule reactions. I. Alcohols

J. Bartmess, G. Caldwell, 1981 .

Profiling Rat Brain Monoacylglycerol Lipase Activity Using an Ammonia-Adduct Enhanced Selected Ion Monitoring Liquid-ChromatographyPositive Electrospray Ionization Mass Spectrometry Assay

G. Caldwell, W. Lang, Wensheng Lang, 2015 .

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.

G. Caldwell, J. Masucci, W. Hageman, 2004, Analytical biochemistry.

Drug, Lipid, and Acylcarnitine Profiling Using Dried Blood Spot (DBS) Technology in Drug Discovery

G. Caldwell, Jenson Qi, W. Lang, 2014 .

Mass spectrometric determination of a novel modification of the N-terminus of histidine-tagged proteins expressed in bacteria.

Zhengyin Yan, G. Caldwell, A. August, 1999, Biochemical and biophysical research communications.

Frontiers in Drug Design and Discovery

Alberto Diaspro, Alessandra Gliozzi, Mark R. Riley, 2006 .

Complete proton and carbon nuclear magnetic resonance spectral assignments of some morphinan‐6‐one alkaloids by two‐dimensional NMR techniques

G. Caldwell, J. Mills, A. Gauthier, 1993 .

Structure elucidation of mercury(II) compounds by positive chemical ionization mass spectrometry

G. Caldwell, A. Reitz, J. Masucci, 1987 .

A novel carbonyl ylide rearrangement

G. Caldwell, J. Rodgers, A. DianeGauthier, 1992 .

Solvation of the halide anions in dimethyl sulfoxide. Factors involved in enhanced reactivity of negative ions in dipolar aprotic solvents

J. Sunner, P. Kebarle, G. Caldwell, 1984 .

Gas phase acidities of aliphatic carboxylic acids, based on measurements of proton transfer equilibria

P. Kebarle, G. Caldwell, R. Renneboog, 1989 .

Evaluation of the excretion, and metabolism of the cardiotonic agent bemoradan in male rats and female beagle dogs

W. Wu, G. Caldwell, J. Masucci, 2001, European Journal of Drug Metabolism and Pharmacokinetics.

1H NMR Spectral Simplification with Chiral Solvating Agents and with Achiral and Chiral Lanthanide Shift Reagents. Cis-4,5-Dihydro-4-Methyl-5-Phenyl-2-Oxazolamine,

G. Caldwell, R. Rothchild, I. Valentin, 1990 .

Development and Validation of a Dried Serum / Blood Spot Combined Enzyme-Linked Immunosorbent Assay for the Analysis of Anticitrul-linated Protein Antibodies : A New Rheumatoid Arthritis Biomarker Platform

G. Caldwell, Yong-qing Lin, W. Lang, 2018 .

1H and 13C NMR spectra of pseudomorphine and dimethylpseudomorphine

G. Caldwell, C. Maryanoff, D. W. Graden, 1990 .

Evaluation of the effect of oxygen exposure on human liver microsomal metabolism of mitomycin C in the presence of glutathione using liquid chromatography-quadrupole time of flight mass spectrometry.

G. Caldwell, J. Masucci, Wensheng Lang, 2005, Analytical biochemistry.

Metabolic Assessment in Alamethicin-Activated Liver Microsomes: Co-activating CYPs and UGTs

Zhengyin Yan, G. Caldwell, 2014 .

Metabolic assessment in liver microsomes by co-activating cytochrome P450s and UDP-glycosyltransferases

G. Caldwell, Z. Yan, 2003, European Journal of Drug Metabolism and Pharmacokinetics.

Use of stable isotope labeled probes to facilitate liquid chromatography/mass spectrometry based high-throughput screening of time-dependent CYP inhibitors.

Zhengyin Yan, G. Caldwell, Weimin Tang, 2010, Rapid communications in mass spectrometry : RCM.

Cytochrome P450: In Vitro Methods and Protocols

Zhengyin Yan, G. Caldwell, 2021, Methods in Pharmacology and Toxicology.

In vitro identification of metabolic pathways and cytochrome P450 enzymes involved in the metabolism of etoperidone

Zhengyin Yan, W. Wu, G. Caldwell, 2002, Xenobiotica; the fate of foreign compounds in biological systems.

Editorial [Hot Topic: Pharmaceutical R&D: A Knowledge-Intensive Multidisciplinary Approach (Guest Editor: Gary W. Caldwell)]

Gary W. Caldwell, G. Caldwell, 2012 .

ADME optimization and toxicity assessment in early- and late-phase drug discovery.

Gary W Caldwell, Zhengyin Yan, G. Caldwell, 2009, Current topics in medicinal chemistry.

The new pre-preclinical paradigm: compound optimization in early and late phase drug discovery.

D. Ritchie, Zhengyin Yan, G. Caldwell, 2001, Current topics in medicinal chemistry.

Preparative high-performance liquid chromatographic separation of fluorodeoxy sugars

G. Caldwell, W. Murray, M. Evangelisto, 1995 .

Dipole-stabilized carbanions in the gas phase

J. Bartmess, G. Caldwell, M. D. Rozeboom, 1983 .

METHYL SUBSTITUENT EFFECTS IN THE GAS-PHASE ACIDITIES OF HALOSUBSTITUTED OXYGEN ACIDS. A REALIGNMENT WITH SUBSTITUENT EFFECTS IN SOLUTION

P. Kebarle, J. Bartmess, G. Caldwell, 1985 .

Simultaneously Assessing Concentration Changes in 20 Biochemical Pathways as a Result of Drug Dosing and Cytochrome P450 and Non-cytochrome P450-Mediated Metabolism: An Untargeted Metabolomics GC/MS Assay

G. Caldwell, Yanping Lin, Ying Li, 2021, Methods in Pharmacology and Toxicology.

Electron affinities from electron transfer equilibria in the gas phase and the electron affinity of SO2

P. Kebarle, G. Caldwell, 1984 .

The hydrogen bond energies of the bihalide ions XHX− and YHX−

P. Kebarle, G. Caldwell, 1985 .

Negative ion chemical ionization mass spectrometry—binding of molecules to bromide and iodide anions

M. Ikonomou, G. Caldwell, J. Masucci, 1989 .

Fragment–molecule adduct ion formation in positive methane chemical ionization mass spectrometry1

G. Caldwell, Cynthia A. Maiyanoff, S. Y. Chang, 1988 .

In vivo microdialysis and liquid chromatography/thermospray mass spectrometry of the novel anticonvulsant 2,3:4,5-bis-O-(1-methylethylidene)-beta-D-fructopyranose sulfamate (topiramate) in rat brain fluid.

R. Shank, G. Caldwell, J. Masucci, 1998, Journal of mass spectrometry : JMS.

Displacement, proton transfer, or hydrolysis? Mechanistic control of acetonitrile reactivity by stepwise solvation of reactants

J. Bartmess, G. Caldwell, M. D. Rozeboom, 1984 .

Bimolecular ion-molecule addition reactions in the gas phase. Alcohols and alkoxides

J. Bartmess, G. Caldwell, 1981 .

Anion-alcohol hydrogen bond strengths in the gas phase

J. Bartmess, G. Caldwell, J. Kiplinger, 1984 .

The role of solvation and choice of anion in controlling the thermodynamic stability of the cyclooctatetraene and anthracene dianions

G. Caldwell, A. E. Alegria, G. R. Stevenson, 1979 .

Isothermal Titration Calorimetry Characterization of Drug-Binding Energetics to Blood Proteins

Zhengyin Yan, G. Caldwell, 2004 .

Electron ionization mass spectra of novel 2,3:4,5-bis-O-(1-methylethylidene)-β―D-fructopyranose derivatives and related sugar sulfamates

S. Nortey, G. Caldwell, K. Sorgi, 1989 .

Low-resolution accurate mass measurement in self-chemical ionization mass spectrometry

G. Caldwell, J. Masucci, R. Inners, 1988 .

Rapid detection and characterization of minor reactive metabolites using stable-isotope trapping in combination with tandem mass spectrometry.

Gary W Caldwell, Zhengyin Yan, G. Caldwell, 2005, Rapid communications in mass spectrometry : RCM.

Excretion and metabolism of the antihypertensive agent, RWJ-26240 (McN-5691) in dogs.

W. Wu, G. Caldwell, J. Carson, 1998, Drug metabolism and disposition: the biological fate of chemicals.

Optimization In Drug Discovery In Vitro Methods

Gary W. Caldwell, Zhengyin Yan, G. Caldwell, 2010 .

Assessing Amino Acid Concentration Changes as a Result of Drug Dosing and Cytochrome P450 and Non-cytochrome P450-Mediated Metabolism

G. Caldwell, Kerem Bingol, J. Masucci, 2021, Methods in Pharmacology and Toxicology.

Can Untargeted Metabolomics Be Utilized in Drug Discovery/Development?

Gary W Caldwell, Gregory C Leo, G. Leo, 2017, Current topics in medicinal chemistry.

Inter-laboratory reproducibility of an untargeted metabolomics GC–MS assay for analysis of human plasma

Gary W. Caldwell, Yanping Lin, Ying Li, 2020, Scientific Reports.

Evaluation of Cytochrome P450 Inhibition in Human Liver Microsomes

Zhengyin Yan, G. Caldwell, 2004 .

In vitro identification of cytochrome P450 enzymes responsible for drug metabolism.

Zhengyin Yan, G. Caldwell, 2013, Methods in molecular biology.

Optimization in Drug Discovery

Gary W. Caldwell, Zhengyin Yan, Lls, 2014, Methods in Pharmacology and Toxicology.

In vitro permeability of eight beta-blockers through Caco-2 monolayers utilizing liquid chromatography/electrospray ionization mass spectrometry.

G. Caldwell, J. Gunnet, K. Demarest, 1998, Journal of mass spectrometry : JMS.

Application of dicyandiamide as a matrix additive in fast atom bombardment mass spectrometry

G. Caldwell, A. Reitz, J. Masucci, 1990 .

A high-throughput monoamine oxidase inhibition assay using liquid chromatography with tandem mass spectrometry.

Zhengyin Yan, G. Caldwell, Boyu Zhao, 2004, Rapid Communications in Mass Spectrometry.

The IC50 Concept Revisited

Zhengyin Yan, G. Caldwell, J. Masucci, 2012 .

Inter-laboratory reproducibility of an untargeted metabolomics GC–MS assay for analysis of human plasma

G. Caldwell, J. Masucci, Yanping Lin, 2020, Scientific Reports.

DETECTION OF A NOVEL REACTIVE METABOLITE OF DICLOFENAC: EVIDENCE FOR CYP2C9-MEDIATED BIOACTIVATION VIA ARENE OXIDES

Zhengyin Yan, G. Caldwell, H. Zhong, 2005, Drug Metabolism and Disposition.

The IC(50) concept revisited.

Zhengyin Yan, G. Caldwell, J. Masucci, 2012, Current topics in medicinal chemistry.

Biotransformation of Geldanamycin and 17-Allylamino-17-Demethoxygeldanamycin by Human Liver Microsomes: Reductive versus Oxidative Metabolism and Implications

G. Leo, G. Caldwell, J. Masucci, 2007, Drug Metabolism and Disposition.

Simultaneously Assessing Concentration Changes in 17 Biochemical Pathways as a Result of Drug Dosing and Cytochrome P450 and Non-cytochrome P450-Mediated Metabolism: A Quasi-Untargeted Metabolomics LC/MS Assay

G. Caldwell, Kerem Bingol, J. Masucci, 2021, Methods in Pharmacology and Toxicology.

Identification of a gluconic acid derivative attached to the N-terminus of histidine-tagged proteins expressed in bacteria.

G. Caldwell, P. McDonell, Z. Yan, 1999, Biochemical and biophysical research communications.

Allometric scaling of pharmacokinetic parameters in drug discovery: Can human CL, Vss and t1/2 be predicted fromin-vivo rat data?

Gary W. Caldwell, Zhengyin Yan, G. Caldwell, 2004, European Journal of Drug Metabolism and Pharmacokinetics.

Ions-gas phase and solution-dipolar aprotic solvents

J. Sunner, P. Kebarle, G. Caldwell, 1985 .

Permeability Assessment Using 5-day Cultured Caco-2 Cell Monolayers

Zhengyin Yan, G. Caldwell, C. Ferguson, 2014 .

A simple method to improve spectral quality in matrix-assisted laser desorption/ionization-time-of-flight-mass spectrometric analysis by using Micro Mate labeling tape as a sample support.

G. Caldwell, J. Masucci, W. Jones, 2000, Analytical biochemistry.

Biotransformation of an antihypertensive arylalkylamine analogue in the rat.

W. Wu, G. Caldwell, J. Masucci, 1998, Xenobiotica; the fate of foreign compounds in biological systems.

The application of nuclear magnetic resonance-based metabonomics to the dominant-submissive rat behavioral model.

G. Leo, G. Caldwell, E. Malatyńska, 2005, Analytical biochemistry.

Evaluation of the absorption, excretion and metabolism of [14 C] etoperidone in man

W. Wu, G. Caldwell, J. Masucci, 2001, Xenobiotica; the fate of foreign compounds in biological systems.

Conformational analysis of (S)−4,5,6,7−tetrahydro−5−methylimidazo [4,5,1−jk][1,4]−benzodiazepin−2−(1H)−one (R78362)

M. Kukla, G. Caldwell, A. Gauthier, 1993 .

Conformational analysis of the reverse transcriptase inhibitor (+)-(S)-4,5,6,7-tetrahydroimidazo-9-chloro-5-methyl-6-(3-methyl-2-butenyl) imidazo[4,5,1-jk][1,4]-benzodiazepin-2(1H)-thione (TIBO; R82913)

G. Leo, M. Kukla, G. Caldwell, 1993 .

Solvation of the halide anions in dimethyl sulfoxide. Factors involved in enhanced reactivity of negative ions in dipolar aprotic solvents

J. Sunner, P. Kebarle, G. Caldwell, 1984 .

Indirect thin-layer chromatography-fast atom bombardment and chemical ionization mass spectrometry determination of carbohydrates utilizing simple and rapid microtransfer techniques

G. Caldwell, J. Masucci, W. Jones, 1990 .

NMR THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SERINE PROTEASE INHIBITOR CYCLOTHEONAMIDE A

B. Podlogar, G. Leo, G. Caldwell, 1997 .

Bioactivation of 4-Methylphenol (p-cresol) via CYP-mediated Aromatic Oxidation in Human Liver Microsomes

Zhengyin Yan, G. Leo, G. Caldwell, 2005 .

The use of stable isotope-labeled glycerol and oleic acid to differentiate the hepatic functions of DGAT1 and -2

H. Askari, J. Geisler, M. Connelly, 2012, Journal of Lipid Research.

Techniques for Gas Chromatography/Mass Spectrometry

G. Caldwell, J. Masucci, 2004 .

Unbiased high-throughput screening of reactive metabolites on the linear ion trap mass spectrometer using polarity switch and mass tag triggered data-dependent acquisition.

Zhengyin Yan, G. Caldwell, Noureddine Maher, 2008, Analytical Chemistry.

Phosphonate ester complexes of methyltin chlorides. Formation constants as a function of nuclear spin coupling constant

G. Caldwell, R. C. Reiter, R. Bunting, 1982 .

An unusual intramolecular transfer of the fluorobenzyl cation between two remote amidic nitrogen atoms induced by collision in the gas phase.

Zhengyin Yan, G. Caldwell, B. Tounge, 2012, Rapid communications in mass spectrometry : RCM.