T. Baillie

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Structural alert/reactive metabolite concept as applied in medicinal chemistry to mitigate the risk of idiosyncratic drug toxicity: a perspective based on the critical examination of trends in the top 200 drugs marketed in the United States.

A. Stepan, Daniel P. Walker, J. Bauman, 2011, Chemical research in toxicology.

Glucuronidation of statins in animals and humans: a novel mechanism of statin lactonization.

B. Ma, T. Baillie, Jiunn H. Lin, 2002, Drug metabolism and disposition: the biological fate of chemicals.

Advances in the application of mass spectrometry to studies of drug metabolism, pharmacokinetics and toxicology*

T. Baillie, 1992 .

The resurgence of covalent drugs

Adrian Whitty, Juswinder Singh, Thomas A. Baillie, 2011, Nature Reviews Drug Discovery.

The Generation, Detection, and Effects of Reactive Drug Metabolites

Dominic P. Williams, T. Baillie, N. Kitteringham, 2013, Medicinal research reviews.

Organic Chemistry in Drug Discovery

T. Baillie, M. Maccoss, Malcolm MacCoss, 2004, Science.

Role of biotransformation in drug-induced toxicity: influence of intra- and inter-species differences in drug metabolism.

T. Baillie, A. Rettie, 2011, Drug metabolism and pharmacokinetics.

Cytochrome P-450-catalyzed desaturation of valproic acid in vitro. Species differences, induction effects, and mechanistic studies.

T. Baillie, A. Rettie, A. Rettenmeier, 1988, The Journal of biological chemistry.

Studies on the beta-oxidation of valproic acid in rat liver mitochondrial preparations.

T. Baillie, S. Bjorge, 1991, Drug metabolism and disposition: the biological fate of chemicals.

Mass spectrometry in the analysis of glutathione conjugates.

T. Baillie, M. Davis, M. Davis, 1993, Biological mass spectrometry.

Studies on cytochrome P-450-mediated bioactivation of diclofenac in rats and in human hepatocytes: identification of glutathione conjugated metabolites.

T. Baillie, Yong Zhang, Wei Tang, 1999, Drug metabolism and disposition: the biological fate of chemicals.

Extrapolation of Diclofenac Clearance from in Vitro Microsomal Metabolism Data: Role of Acyl Glucuronidation and Sequential Oxidative Metabolism of the Acyl Glucuronide

T. Baillie, K. Samuel, Sanjeev Kumar, 2002, Journal of Pharmacology and Experimental Therapeutics.

Drug-protein adducts: an industry perspective on minimizing the potential for drug bioactivation in drug discovery and development.

T. Baillie, Thomas A Baillie, David C. Evans, 2004, Chemical research in toxicology.

Study of the fragmentation mechanism of protonated 6-hydroxychlorzoxazone: application in simultaneous analysis of CYP2E1 activity with major human cytochrome P450s.

T. Baillie, P. Pearson, R. Franklin, 2003, Analytical chemistry.

Testosterone, 7-benzyloxyquinoline, and 7-benzyloxy-4-trifluoromethyl-coumarin bind to different domains within the active site of cytochrome P450 3A4.

A. D. Rodrigues, T. Baillie, T. Rushmore, 2001, Drug metabolism and disposition: the biological fate of chemicals.

Enzyme kinetics of cytochrome P450-mediated reactions.

A. D. Rodrigues, T. Baillie, C. Tang, 2012, Current drug metabolism.

Metabolites of caspofungin acetate, a potent antifungal agent, in human plasma and urine.

T. Baillie, X. Xu, D. Dean, 2000, Drug metabolism and disposition: the biological fate of chemicals.

Mass spectrometric studies on the molecular basis of xenobiotic‐induced toxicities

A. Burlingame, T. Baillie, K. Straub, 1983 .

Integration of knowledge-based metabolic predictions with liquid chromatography data-dependent tandem mass spectrometry for drug metabolism studies: application to studies on the biotransformation of indinavir.

T. Baillie, R. Sanchez, R. Franklin, 2004, Analytical chemistry.

Binding of flexible ligands to proteins: Valproic acid and its interaction with cytochrome P450cam

T. Baillie, A. Rettie, G. Loew, 1993 .

Chapter 27. Stable Isotopes in Drug Metabolism and Disposition

T. Baillie, A. Rettenmeier, L. Peterson, 1984 .

Glutathione: a vehicle for the transport of chemically reactive metabolites in vivo

T. Baillie, J. G. Slatter, 1991 .

Biotransformation of methyl isocyanate in the rat. Evidence for glutathione conjugation as a major pathway of metabolism and implications for isocyanate-mediated toxicities.

T. Baillie, J. G. Slatter, P. Pearson, 1991, Chemical research in toxicology.

Chemical synthesis and cytotoxic properties of N-alkylcarbamic acid thioesters, metabolites of hepatotoxic formamides.

T. Baillie, A. Gescher, P. Pearson, 1990, Chemical research in toxicology.

Toxicity of the methyl isocyanate metabolite S-(N-methylcarbamoyl)GSH on mouse embryos in culture.

T. Baillie, D. Varma, I. Guest, 1992, Teratology.

Carbamoylation of peptides and proteins in vitro by S-(N-methylcarbamoyl)glutathione and S-(N-methylcarbamoyl)cysteine, two electrophilic S-linked conjugates of methyl isocyanate.

T. Baillie, J. G. Slatter, P. Pearson, 1991, Chemical research in toxicology.

S-(N-methylcarbamoyl)glutathione: a reactive S-linked metabolite of methyl isocyanate.

T. Baillie, J. G. Slatter, P. Pearson, 1990, Biochemical and biophysical research communications.

Applications of tandem mass spectrometry to the characterization of derivatized glutathione conjugates. Studies with S-(N-methylcarbamoyl)glutathione, a metabolite of the antineoplastic agent N-methylformamide.

T. Baillie, W. Howald, M. Threadgill, 1988, Biomedical & environmental mass spectrometry.

Identification of novel glutathione conjugates of disulfiram and diethyldithiocarbamate in rat bile by liquid chromatography-tandem mass spectrometry. Evidence for metabolic activation of disulfiram in vivo.

T. Baillie, M. Davis, L. Jin, 1994, Chemical research in toxicology.

Pharmacokinetics and Interactions of a Novel CCR5 Receptor Antagonist with Ritonavir in Rats and Monkeys: Role of CYP3A and P-glycoprotein

T. Baillie, Jiunn H. Lin, Sanjeev Kumar, 2002 .

Studies on the metabolic fate of caracemide, an experimental antitumor agent, in the rat. Evidence for the release of methyl isocyanate in vivo.

T. Baillie, J. G. Slatter, P. Pearson, 1993, Chemical research in toxicology.

Glutathione and N-acetylcysteine conjugates of 2-chloroethyl isocyanate. Identification as metabolites of N,N'-bis(2-chloroethyl)-N-nitrosourea in the rat and inhibitory properties toward glutathione reductase in vitro.

T. Baillie, K. Kassahun, C. Jochheim, 1993, Chemical research in toxicology.

Metabolism of a thiazole benzenesulfonamide derivative, a potent and elective agonist of the human beta3-adrenergic receptor, in rats: identification of a novel isethionic acid conjugate.

T. Baillie, A. Weber, Wei Tang, 2002, Drug metabolism and disposition: the biological fate of chemicals.

Structural characterization of the major covalent adduct formed in vitro between acetaminophen and bovine serum albumin.

T. Baillie, K. Hoffmann, A. Streeter, 1985, Chemico-biological interactions.

Covalent binding of acetaminophen to mouse hemoglobin. Identification of major and minor adducts formed in vivo and implications for the nature of the arylating metabolites.

T. Baillie, K. Hoffmann, A. Streeter, 1988, Chemico-biological interactions.

The covalent binding of acetaminophen to protein. Evidence for cysteine residues as major sites of arylation in vitro.

T. Baillie, S. Nelson, D. Dahlin, 1984, Chemico-biological interactions.

Mechanistic studies on the metabolic activation of acetaminophen in vivo.

T. Baillie, K. Hoffmann, D. Axworthy, 1990, Chemical research in toxicology.

Reversibility in glutathione-conjugate formation.

T. Baillie, K. Kassahun, 1994, Advances in pharmacology.

Influence of different recombinant systems on the cooperativity exhibited by cytochrome P4503A4

T. Baillie, Y. Zhang, D. C. Evans, 2004, Xenobiotica; the fate of foreign compounds in biological systems.

Effect of Quinidine on the 10-Hydroxylation of R-Warfarin: Species Differences and Clearance Projection

T. Baillie, T. Rushmore, J. Fenyk-Melody, 2004, Journal of Pharmacology and Experimental Therapeutics.

Drug Biotransformation: Mechanistic Studies With Stable Isotopes

T. Baillie, A. Rettenmeier, 1986, Journal of clinical pharmacology.

Metabolism of the nigrostriatal toxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine by liver homogenate fractions.

T. Baillie, L. Peterson, N. Castagnoli, 1985, Journal of medicinal chemistry.

Biotransformation and bioactivation reactions – 2015 literature highlights

T. Baillie, I. Rietjens, D. Dalvie, 2016, Drug metabolism reviews.

Metabolism of N-methylformamide in mice: primary kinetic deuterium isotope effect and identification of S-(N-methylcarbamoyl)glutathione as a metabolite.

T. Baillie, A. Gescher, M. Threadgill, 1987, The Journal of pharmacology and experimental therapeutics.

Studies on the biotransformation of ketamine. II--Quantitative significance of the N-demethylation pathway in rats in vivo determined by a novel stable isotope technique.

T. Baillie, L. Y. Leung, 1989, Biomedical & environmental mass spectrometry.

2-Acetamido-p-benzoquinone: a reactive arylating metabolite of 3'-hydroxyacetanilide.

T. Baillie, A. Streeter, 1985, Biochemical pharmacology.

Assessing and minimizing time-dependent inhibition of cytochrome P450 3A in drug discovery: A case study with melanocortin-4 receptor agonists

R. Miller, T. Baillie, D. Dean, 2008, Xenobiotica; the fate of foreign compounds in biological systems.

Chemically Reactive Metabolites in Drug Discovery and Development

T. Baillie, 2003 .

Synthesis and characterization of isotopically‐labelled cysteine‐ and glutathione conjugates of methylisocyanate

T. Baillie, P. Pearson, D. Han, 1989 .

Mechanistic studies on the conjugation of methyl isocyanate with N-acetyl-cysteine in rats

T. Baillie, M. Davis, P. Hu, 1996 .

Effect of carbamate thioester derivatives of methyl- and 2-chloroethyl isocyanate on glutathione levels and glutathione reductase activity in isolated rat hepatocytes.

T. Baillie, K. Kassahun, C. Jochheim, 1994, Biochemical pharmacology.

Selective and irreversible inhibition of glutathione reductase in vitro by carbamate thioester conjugates of methyl isocyanate.

T. Baillie, C. Jochheim, 1994, Biochemical pharmacology.

Identification of the major covalent adduct formed in vitro and in vivo between acetaminophen and mouse liver proteins.

T. Baillie, K. Hoffmann, A. Streeter, 1985, Molecular pharmacology.

Mechanistic studies on the reversible metabolism of rofecoxib to 5-hydroxyrofecoxib in the rat: evidence for transient ring opening of a substituted 2-furanone derivative using stable isotope-labeling techniques.

T. Baillie, D. Dean, D. Melillo, 2001, Drug metabolism and disposition: the biological fate of chemicals.

Metabolism of valproate to hepatotoxic intermediates

T. Baillie, 1992, Pharmaceutisch Weekblad.

The use of stable isotopes in pharmacological research.

T. Baillie, 1981, Pharmacological reviews.

Metabolism of hydroxy sterols by rat liver.

T. Baillie, C. Pullinger, G. Gibbons, 1980, Biochimica et biophysica acta.

Cytochrome P450 3A4-mediated oxidative conversion of a cyano to an amide group in the metabolism of pinacidil.

P. Ortiz de Montellano, T. Baillie, Wei Tang, 2002, Biochemistry.

Mechanistic studies of the metabolic chiral inversion of (R)-ibuprofen in humans.

T. Baillie, W. Adams, L. Olanoff, 1989, The Journal of pharmacology and experimental therapeutics.

CYP4 isozyme specificity and the relationship between omega-hydroxylation and terminal desaturation of valproic acid.

T. Baillie, A. Rettie, K. Korzekwa, 1995, Biochemistry.

Studies on the biotransformation of ketamine. 1-Identification of metabolites produced in vitro from rat liver microsomal preparations.

T. Baillie, J. Adams, N. Castagnoli, 1981, Biomedical mass spectrometry.

An Inducible Cytochrome P450 3A4-Dependent Vitamin D Catabolic Pathway

T. Baillie, M. Hebert, Yvonne S. Lin, 2012, Molecular Pharmacology.

Pharmacokinetics and metabolism of the novel anticonvulsant agent N-(2,6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide (D2624) in rats and humans.

Steven W. Martin, T. Baillie, M. Kerr, 1997, Drug metabolism and disposition: the biological fate of chemicals.

Studies on the formation of reactive intermediates from the antineoplastic agent N,N'-bis(2-chloroethyl)-N-nitrosourea (BCNU) in vitro and in vivo. Characterization of novel glutathione adducts by ionspray tandem mass spectrometry

T. Baillie, M. Davis, 1995 .

Synthesis of specifically deuterium-labelled pregnanolone and pregnanediol sulphates for metabolic studies in humans

T. Baillie, J. Sjövall, J. Herz, 1975, Steroids.

Synthesis of 5α-pregnane-3β,20α-diol and of 5α-pregnane-3α,20α-diol labelled specifically at the 20β-position

T. Baillie, J. Sjövall, J. Herz, 1974 .

Comparative pharmacology in the rat of ketamine and its two principal metabolites, norketamine and (Z)-6-hydroxynorketamine.

T. Baillie, L. Y. Leung, Louis Y. Leung, 1986, Journal of medicinal chemistry.

Pharmacokinetics and metabolism of the novel anticonvulsant agent N-(2,6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide (D2624) in rats and humans.

Steven W. Martin, T. Baillie, R. Levy, 1997, Drug metabolism and disposition: the biological fate of chemicals.

Metabolic chiral inversion of flurbiprofen-CoA in vitro.

T. Baillie, S. M. Sanins, W. Adams, 1991, Biochemical pharmacology.

Biotransformation of the naturally occurring isothiocyanate sulforaphane in the rat: identification of phase I metabolites and glutathione conjugates.

T. Baillie, K. Kassahun, M. Davis, 1997, Chemical research in toxicology.

Stable isotope studies on steroid metabolism and kinetics: sulfates of 3α-hydroxy-5α-pregnane derivatives in human pregnancy

T. Baillie, R. Anderson, T. Cronholm, 1990, Steroids.

Synthesis and applications of isotopically labelled compounds

T. Baillie, 1988 .

Comparative pharmacology in the rat of ketamine and its two principal metabolites, norketamine and (Z)-6-hydroxynorketamine.

T. Baillie, L. Y. Leung, 1986, Journal of medicinal chemistry.

Quantitative analysis of terbutaline by gas chromatography-mass spectrometry.

T. Baillie, J. Leferink, C. Lindberg, 1984, European journal of respiratory diseases. Supplement.

Application of liquid chromatography/thermospray mass spectrometry to studies on the formation of glutathione and cysteine conjugates from monomethylcarbamate metabolites of bambuterol.

T. Baillie, P. Pearson, D. Han, 1989, Rapid communications in mass spectrometry : RCM.

The use of alkoxycarbonyl derivatives for the mass spectral analysis of drug-thioether metabolites. Studies with the cysteine, mercapturic acid and glutathione conjugates of acetaminophen.

T. Baillie, K. Hoffmann, Thomas A. Baillie, 1988, Biomedical & environmental mass spectrometry.

Synthesis of (Z)- and (E)-6-hydroxyketamine

T. Baillie, N. Castagnoli, T. Woolf, 1984 .

Targeted Covalent Inhibitors for Drug Design.

T. Baillie, Thomas A Baillie, 2016, Angewandte Chemie.

Quantitative determination of the major metabolite of prostaglandins F1alpha and F2alpha in human urine by stable isotope dilution and combined gas chromatography--mass spectrometry.

T. Baillie, A. Brash, G. Draffan, 1976, Biochemical medicine.

The use of mass spectrometry in the study of chemically-reactive drug metabolites. Application of MS/MS and LC/MS to the analysis of glutathione- and related S-linked conjugates of N-methylformamide.

T. Baillie, W. Howald, P. Pearson, 1989, Journal of pharmaceutical and biomedical analysis.

Recent Advances in the Use of Stable Isotopes in Drug Metabolism Research

T. Baillie, A. Rettenmeier, 1986, Journal of clinical pharmacology.

Evidence for the in vitro metabolism of allylisopropylacetamide to reactive intermediates. Mechanistic studies with oxygen-18.

T. Baillie, K. Prickett, Thomas A. Baillie, 1984, Biomedical mass spectrometry.

Approaches for minimizing metabolic activation of new drug candidates in drug discovery.

T. Baillie, Sanjeev Kumar, K. Kassahun, 2010, Handbook of experimental pharmacology.

Zafirlukast Metabolism by Cytochrome P450 3A4 Produces an Electrophilic α,β-Unsaturated Iminium Species That Results in the Selective Mechanism-Based Inactivation of the Enzyme

T. Baillie, I. Mcintosh, G. Doss, 2005 .

Studies on the metabolism of troglitazone to reactive intermediates in vitro and in vivo. Evidence for novel biotransformation pathways involving quinone methide formation and thiazolidinedione ring scission.

T. Baillie, Wei Tang, D. Dean, 2001, Chemical research in toxicology.

Conversion of the 2,2,6,6-tetramethylpiperidine moiety to a 2,2-dimethylpyrrolidine by cytochrome P450: evidence for a mechanism involving nitroxide radicals and heme iron.

T. Baillie, Sanjeev Kumar, R. Stearns, 2004, Biochemistry.

The unanticipated loss of SO2 from sulfonamides in collision-induced dissociation.

T. Baillie, C. Hop, Mi-Sook Kim, 2003, Rapid communications in mass spectrometry : RCM.

Drug–protein adducts: past, present, and future

T. Baillie, 2020, Medicinal Chemistry Research.

Drug Metabolism in Drug Safety Evaluation

Thomas A. Baillie, T. Baillie, 2012 .

Studies on the metabolic fate of valproic acid in the rat using stable isotope techniques.

T. Baillie, W. P. Gordon, A. Rettenmeier, 1987, Xenobiotica; the fate of foreign compounds in biological systems.

Inhibition of medium-chain fatty acid beta-oxidation in vitro by valproic acid and its unsaturated metabolite, 2-n-propyl-4-pentenoic acid.

T. Baillie, S. Bjorge, 1985, Biochemical and biophysical research communications.

Future of toxicology-metabolic activation and drug design: challenges and opportunities in chemical toxicology.

T. Baillie, Thomas A Baillie, 2006, Chemical research in toxicology.

Analytical approaches to the investigation of kerogen structure by mass spectrometric techniques

A. Burlingame, T. Baillie, S. Brown, 1980 .

Production rates and metabolism of sulphates of 3β-hydroxy-5α-pregnane derivatives in pregnant women

T. Baillie, J. Sjövall, K. Sjövall, 1980 .

A comparison of t-butyldimethylsilyl and trimethylsilyl ether derivatives for the characterization of urinary metabolites of prostaglandin F2alpha by gas chromatography mass spectrometry.

T. Baillie, A. Brash, 1978, Biomedical mass spectrometry.

Application of deuterium labelling in studies of the biosynthesis and metabolism of prostaglandin F2α in man

T. Baillie, A. Brash, G. Draffan, 1978 .

Mechanistic studies on the metabolic chiral inversion of R-ibuprofen in the rat.

T. Baillie, S. M. Sanins, W. Adams, 1991, Drug metabolism and disposition: the biological fate of chemicals.

Metabolic chiral inversion of stiripentol in the rat. II. Influence of route of administration.

T. Baillie, C. Tang, R. Levy, 1994, Drug metabolism and disposition: the biological fate of chemicals.

Metabolic chiral inversion of stiripentol in the rat. I. Mechanistic studies.

T. Baillie, C. Tang, R. Levy, 1994, Drug metabolism and disposition: the biological fate of chemicals.

Stereoselective pharmacokinetics of stiripentol: an explanation for the development of tolerance to anticonvulsant effect

T. Baillie, D. Shen, R. Levy, 1994, Epilepsy Research.

Identification and quantitation of 16alpha-hydroxy C21 steroid sulphates in plasma from pregnant women.

T. Baillie, R. Anderson, J. Sjövall, 1976, Journal of steroid biochemistry.

Specific deuterium labelling and computerized gas chromatography -- mass spectrometry in studies on the metabolism in vivo of a steroid sulphate in the rat.

T. Baillie, J. Sjövall, H. Eriksson, 1975, European journal of biochemistry.

The identification of 5β,7α-dihydroxy-11-oxotetranor-prostane-1, 16-dioic acid as a urinary metabolite of prostaglandin F2α in the rat

T. Baillie, A. Brash, 1979 .

Studies on the metabolic activation of disulfiram in rat. Evidence for electrophilic S-oxygenated metabolites as inhibitors of aldehyde dehydrogenase and precursors of urinary N-acetylcysteine conjugates.

T. Baillie, L. Jin, P. Hu, 1997, The Journal of pharmacology and experimental therapeutics.

Beta-oxidation of valproate. II. Effects of fasting, glucose, and clofibrate in rats.

T. Baillie, A. Rettenmeier, K. Prickett, 1989, Epilepsia.

Cytochrome P-450--catalyzed formation of delta 4-VPA, a toxic metabolite of valproic acid.

T. Baillie, A. Rettie, A. Rettenmeier, 1987, Science.

The metabolic disposition of aprepitant, a substance P receptor antagonist, in rats and dogs.

A. Robichaud, T. Baillie, R. Anari, 2004, Drug metabolism and disposition: the biological fate of chemicals.

Metabolism of phencyclidine. The role of iminium ion formation in covalent binding to rabbit microsomal protein.

T. Baillie, J. Adams, N. Castagnoli, 1982, Drug metabolism and disposition: the biological fate of chemicals.

Negative ion tandem mass spectrometry for the detection of glutathione conjugates.

Richard King, T. Baillie, C. Dieckhaus, 2005, Chemical research in toxicology.

Pharmacokinetics and Interactions of a Novel Antagonist of Chemokine Receptor 5 (CCR5) with Ritonavir in Rats and Monkeys: Role of CYP3A and P-Glycoprotein

T. Baillie, Sanjeev Kumar, P. Pearson, 2002, Journal of Pharmacology and Experimental Therapeutics.

Is the role of the small intestine in first-pass metabolism overemphasized?

T. Baillie, J. Lin, M. Chiba, 1999, Pharmacological reviews.

Managing the challenge of chemically reactive metabolites in drug development

Ian D. Wilson, Alan Boobis, Chris E. P. Goldring, 2011, Nature Reviews Drug Discovery.

Quantitative metabolic profiling of valproic acid in humans using automated gas chromatographic/mass spectrometric techniques.

T. Baillie, W. P. Gordon, A. Rettenmeier, 1989, Biomedical & environmental mass spectrometry.

The covalent binding to protein of valproic acid and its hepatotoxic metabolite, 2-n-propyl-4-pentenoic acid, in rats and in isolated rat hepatocytes.

T. Baillie, D. Porubek, M. Grillo, 1989, Drug metabolism and disposition: the biological fate of chemicals.

Identification in rat bile of glutathione conjugates of fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether, a nephrotoxic degradate of the anesthetic agent sevoflurane.

T. Baillie, E. Kharasch, G. Doss, 1996, Chemical research in toxicology.

Nephrotoxicity of sevoflurane compound A [fluoromethyl-2,2-difluoro-1-(trifluoromethyl)vinyl ether] in rats: evidence for glutathione and cysteine conjugate formation and the role of renal cysteine conjugate beta-lyase.

T. Baillie, E. Kharasch, M. Davis, 1995, Biochemical and biophysical research communications.

Approaches to mitigate the risk of serious adverse reactions in covalent drug design

T. Baillie, 2020, Expert opinion on drug discovery.

Biological reactive intermediates in drug discovery and development: a perspective from the pharmaceutical industry.

T. Baillie, K. Kassahun, K Kassahun, 2001, Advances in experimental medicine and biology.

Role of a potent inhibitory monoclonal antibody to cytochrome P-450 3A4 in assessment of human drug metabolism.

A. D. Rodrigues, T. Baillie, C. Tang, 1999, The Journal of pharmacology and experimental therapeutics.

Bridging cheminformatic metabolite prediction and tandem mass spectrometry.

T. Baillie, Thomas A Baillie, M Reza Anari, 2005, Drug discovery today.

Identification of S-(n-butylcarbamoyl)glutathione, a reactive carbamoylating agent, as a biliary metabolite of benomyl in the rat

T. Baillie, M. Davis, X. Guan, 1994 .

Direct derivatization of sulphate esters for analysis by gas chromatography mass spectrometry

T. Baillie, S. Murray, 1979 .

Metabolism of rofecoxib in vitro using human liver subcellular fractions.

T. Baillie, P. Lu, B. Arison, 2003, Drug metabolism and disposition: the biological fate of chemicals.

Metabolism and toxicity of drugs. Two decades of progress in industrial drug metabolism.

T. Baillie, Thomas A Baillie, 2008, Chemical research in toxicology.

Minimizing metabolic activation during pharmaceutical lead optimization: progress, knowledge gaps and future directions.

T. Baillie, Sanjeev Kumar, Thomas A Baillie, 2008, Current opinion in drug discovery & development.

EVIDENCE FOR THE BIOACTIVATION OF ZOMEPIRAC AND TOLMETIN BY AN OXIDATIVE PATHWAY: IDENTIFICATION OF GLUTATHIONE ADDUCTS IN VITRO IN HUMAN LIVER MICROSOMES AND IN VIVO IN RATS

David C Evans, T. Baillie, M. Braun, 2006, Drug Metabolism and Disposition.

Minimizing the potential for metabolic activation as an integral part of drug design.

T. Baillie, David C. Evans, 2005, Current opinion in drug discovery & development.

Pharmacokinetic and Metabolic Profile of Deutetrabenazine (TEV‐50717) Compared With Tetrabenazine in Healthy Volunteers

T. Baillie, M. Bradbury, E. Hellriegel, 2020, Clinical and translational science.

Studies on the biotransformation in the perfused rat liver of 2-n-propyl-4-pentenoic acid, a metabolite of the antiepileptic drug valproic acid. Evidence for the formation of chemically reactive intermediates.

T. Baillie, W. P. Gordon, A. Rettenmeier, 1985, Drug metabolism and disposition: the biological fate of chemicals.

Cross-linking of protein molecules by the reactive metabolite of acetaminophen, N-acetyl-p-benzoquinone imine, and related quinoid compounds.

T. Baillie, S. Nelson, A. Streeter, 1986, Advances in experimental medicine and biology.

Comparative electron impact, chemical ionization and field desorption mass spectra of some thioether metabolites of acetaminophen.

T. Baillie, Y. Vaishnav, S. Nelson, 1981, Biomedical mass spectrometry.

In vitro studies on the metabolic activation of the furanopyridine L-754,394, a highly potent and selective mechanism-based inhibitor of cytochrome P450 3A4.

S K Balani, T. Baillie, J. Lin, 1996, Chemical research in toxicology.

Cytochrome P-450-mediated dehydrogenation of 2-n-propyl-2(E)-pentenoic acid, a pharmacologically-active metabolite of valproic acid, in rat liver microsomal preparations.

T. Baillie, K. Kassahun, 1993, Drug metabolism and disposition: the biological fate of chemicals.

Metabolic activation of valproic acid and drug-mediated hepatotoxicity. Role of the terminal olefin, 2-n-propyl-4-pentenoic acid.

T. Baillie, T A Baillie, Thomas A. Baillie, 1988, Chemical research in toxicology.

Biotransformation and pharmacokinetics in the rhesus monkey of 2-n-propyl-4-pentenoic acid, a toxic metabolite of valproic acid.

T. Baillie, W. P. Gordon, A. Rettenmeier, 1986, Drug metabolism and disposition: the biological fate of chemicals.

Metabolism of unsaturated derivatives of valproic acid in rat liver microsomes and destruction of cytochrome P-450.

T. Baillie, K. Prickett, 1986, Drug metabolism and disposition: the biological fate of chemicals.

Metabolism of A dopamine D(4)-selective antagonist in rat, monkey, and humans: formation of A novel mercapturic acid adduct.

T. Baillie, G. Doss, M. Davis, 2000, Drug metabolism and disposition: the biological fate of chemicals.

Drug metabolites in safety testing.

T. Baillie, M. Cayen, L. Shipley, 2002, Toxicology and applied pharmacology.

Oxidative metabolism of spironolactone: evidence for the involvement of electrophilic thiosteroid species in drug-mediated destruction of rat hepatic cytochrome P450.

T. Baillie, D. Maltby, C. Decker, 1989, Biochemistry.

INDUCTION OF CYP1A IN THE BEAGLE DOG BY AN INHIBITOR OF KINASE INSERT DOMAIN-CONTAINING RECEPTOR: DIFFERENTIAL EFFECTS IN VITRO AND IN VIVO ON MRNA AND FUNCTIONAL ACTIVITY

A. D. Rodrigues, T. Baillie, T. Rushmore, 2005, Drug Metabolism and Disposition.

The Impact of Drug Metabolism in Contemporary Drug Discovery: New Opportunities and Challenges for Mass Spectrometry

Thomas A. Baillie, Paul G. Pearson, T. Baillie, 2000 .

Fractional mass filtering as a means to assess circulating metabolites in early human clinical studies.

Sean Yu, Kevin P Bateman, T. Baillie, 2008, Rapid communications in mass spectrometry : RCM.

Metabolic activation of unsaturated derivatives of valproic acid. Identification of novel glutathione adducts formed through coenzyme A-dependent and -independent processes.

T. Baillie, K. Kassahun, M. Grillo, 1994, Chemico-biological interactions.

Bioactivation of diclofenac via benzoquinone imine intermediates-identification of urinary mercapturic acid derivatives in rats and humans.

T. Baillie, P. Griffin, M. Braun, 2001, Drug metabolism and disposition: the biological fate of chemicals.

Effects of polytherapy with phenytoin, carbamazepine, and stiripentol on formation of 4‐ene‐valproate, a hepatotoxic metabolite of valproic acid

T. Baillie, A. Rettenmeier, G. Anderson, 1990, Clinical pharmacology and therapeutics.

Complicating factors in safety testing of drug metabolites: kinetic differences between generated and preformed metabolites.

Thomayant Prueksaritanont, T. Baillie, T. Prueksaritanont, 2006, Toxicology and applied pharmacology.

Electrospray tandem mass spectrometry in the diagnosis of organic acidemias

M. E. Harrison, T. Baillie, M. Rashed, 1994 .

Disposition of vorinostat, a novel histone deacetylase inhibitor and anticancer agent, in preclinical species.

M. P. Baker, T. Baillie, K. Koeplinger, 2007, Drug metabolism letters.

Sigmoidal kinetic model for two co-operative substrate-binding sites in a cytochrome P450 3A4 active site: an example of the metabolism of diazepam and its derivatives.

T. Baillie, T. Rushmore, R. Dai, 1999, The Biochemical journal.

A non-enzymic procedure for the quantitative analysis of (3-methoxy-4-sulphoxyphenyl)ethylene glycol (MHPG sulphate) in human urine using stable isotope dilution and gas chromatography—mass spectrometry

T. Baillie, D. Davies, S. Murray, 1977 .

Enantioselective synthesis and preliminary metabolic studies of the optical isomers of 2-n-propyl-4-pentenoic acid, a hepatotoxic metabolite of valproic acid.

T. Baillie, D. Porubek, L. Theodore, 1988, Chemical research in toxicology.

Taurine conjugation of ibuprofen in humans and in rat liver in vitro. Relationship to metabolic chiral inversion.

T. Baillie, X. Guan, M. Shirley, 1994, The Journal of pharmacology and experimental therapeutics.

In vitro stimulation of warfarin metabolism by quinidine: increases in the formation of 4'- and 10-hydroxywarfarin.

T. Baillie, Wei Tang, W. Tang, 2001, Drug metabolism and disposition: the biological fate of chemicals.

Cytochrome P450 3A4-mediated interaction of diclofenac and quinidine.

R. Miller, T. Baillie, Yong Zhang, 2000, Drug metabolism and disposition: the biological fate of chemicals.

In Vitro Metabolic Activation of Lumiracoxib in Rat and Human Liver Preparations

T. Baillie, J. G. Slatter, D. Dean, 2008, Drug Metabolism And Disposition.

Factors influencing the metabolism of diazepam.

T. Baillie, L. Bertilsson, J. Reviriego, 1990, Pharmacology & therapeutics.

Metabolic profiles of montelukast sodium (Singulair), a potent cysteinyl leukotriene1 receptor antagonist, in human plasma and bile.

R R Miller, B H Arison, S K Balani, 1997, Drug metabolism and disposition: the biological fate of chemicals.

Mechanistic studies on metabolic interactions between gemfibrozil and statins.

B. Ma, T. Baillie, P. Pearson, 2002, The Journal of pharmacology and experimental therapeutics.

Metabolic interactions between mibefradil and HMG-CoA reductase inhibitors: an in vitro investigation with human liver preparations.

B. Ma, T. Baillie, C. Tang, 1999, British journal of clinical pharmacology.

A Kinetic Model for the Metabolic Interaction of Two Substrates at the Active Site of Cytochrome P450 3A4*

T. Baillie, T. Rushmore, K. Korzekwa, 2001, The Journal of Biological Chemistry.

Safety Assessment of Acyl Glucuronides—A Simplified Paradigm

T. Hammond, T. Baillie, Dennis A. Smith, 2018, Drug Metabolism and Disposition.

Chapter 8 Liquid chromatography tandem mass spectrometry-based metabolite identification strategies in pharmaceutical research

T. Baillie, P. Tiller, M. Anari, 2005 .

Cytochrome P450 3A4-mediated bioactivation of raloxifene: irreversible enzyme inhibition and thiol adduct formation.

T. Baillie, Wei Tang, G. Doss, 2002, Chemical research in toxicology.

Rapid liquid chromatography with tandem mass spectrometry-based screening procedures for studies on the biotransformation of drug candidates.

T. Baillie, R. King, K. Owens, 1999, Drug metabolism and disposition: the biological fate of chemicals.

The analysis of terbutaline in biological fluids by gas chromatography electron impace mass spectrometry.

T. Baillie, D. Davies, R. Clare, 1979, Biomedical mass spectrometry.

The metabolic fate of stiripentol in man.

T. Baillie, T. Moreland, R. Levy, 1986, Drug metabolism and disposition: the biological fate of chemicals.

Metabolism of the chemoprotective agent diallyl sulfide to glutathione conjugates in rats.

T. Baillie, L. Jin, 1997, Chemical research in toxicology.

CHAPTER 9:Chemically Reactive Versus Stable Drug Metabolites: Role in Adverse Drug Reactions

T. Baillie, 2015 .

Approaches to the assessment of stable and chemically reactive drug metabolites in early clinical trials.

T. Baillie, 2009, Chemical research in toxicology.

Roles of human hepatic cytochrome P450s 2C9 and 3A4 in the metabolic activation of diclofenac.

T. Baillie, W. Tang, R. Stearns, 1999, Chemical research in toxicology.

Zafirlukast metabolism by cytochrome P450 3A4 produces an electrophilic alpha,beta-unsaturated iminium species that results in the selective mechanism-based inactivation of the enzyme.

T. Baillie, I. Mcintosh, G. Doss, 2005, Chemical research in toxicology.

Recognition of quaternary ammonium compounds using mass spectrometry

T. Baillie, M. A. Moseley, D. Norwood, 1994 .

Metabolic fate of valproic acid in the rhesus monkey. Formation of a toxic metabolite, 2-n-propyl-4-pentenoic acid.

J. Lockard, T. Baillie, W. P. Gordon, 1986, Drug metabolism and disposition: the biological fate of chemicals.

Identification of urinary metabolites of sodium dipropylacetate in man; potential sources of interference in organic acid screening procedures.

T. Baillie, D. Gompertz, K. Bartlett, 1977, Clinica chimica acta; international journal of clinical chemistry.

EVALUATION OF MICRODOSING STRATEGIES FOR STUDIES IN PRECLINICAL DRUG DEVELOPMENT: DEMONSTRATION OF LINEAR PHARMACOKINETICS IN DOGS OF A NUCLEOSIDE ANALOG OVER A 50-FOLD DOSE RANGE

M. P. Baker, T. Baillie, J. Vogel, 2004, Drug Metabolism and Disposition.

The contributions of Sidney D. Nelson to drug metabolism research

T. Baillie, 2015, Drug metabolism reviews.

In vitro and in vivo evaluations of the metabolism, pharmacokinetics, and bioavailability of ester prodrugs of L-767,679, a potent fibrinogen receptor antagonist: an approach for the selection of a prodrug candidate.

T. Baillie, T. Prueksaritanont, G. Hartman, 1997, Drug metabolism and disposition: the biological fate of chemicals.

Metabolism of valproic acid by hepatic microsomal cytochrome P-450.

T. Baillie, K. Prickett, 1984, Biochemical and biophysical research communications.

Identification of S-(n-butylcarbamoyl)glutathione, a reactive carbamoylating metabolite of tolbutamide in the rat, and evaluation of its inhibitory effects on glutathione reductase in vitro.

T. Baillie, C. Tang, X. Guan, 1999, Chemical Research in Toxicology.

Stable isotope studies on steroid metabolism and kinetics: sulfates of 3 alpha-hydroxy-5 alpha-pregnane derivatives in human pregnancy.

T. Baillie, R. Anderson, T. Cronholm, 1990, Steroids.

Synthesis of (Z)- and (E)-6-hydroxyketamine

T. Baillie, N. Castagnoli, T. Woolf, 1984 .

Interaction of diclofenac and quinidine in monkeys: stimulation of diclofenac metabolism.

R. Miller, T. Baillie, Wei Tang, 1999, The Journal of pharmacology and experimental therapeutics.

Sigmoidal kinetic model for two co-operative substrate-binding sites in a cytochrome P450 3A4 active site

Renke Dai, Thomas A. Baillie, T. Baillie, 1999 .

Addressing Metabolic Activation as an Integral Component of Drug Design

T. Baillie, G. Doss, George A Doss, 2006, Drug metabolism reviews.

Bioactivation of 2,3-diaminopyridine-containing bradykinin B1 receptor antagonists: irreversible binding to liver microsomal proteins and formation of glutathione conjugates.

M. Bock, T. Baillie, S. Kuduk, 2005, Chemical research in toxicology.

Evidence of multiple forms of rat liver microsomal coenzyme A ligase catalysing the formation of 2-arylpropionyl-coenzyme A thioesters.

T. Baillie, K. Knights, U. M. Talbot, 1992, Biochemical pharmacology.

Mechanistic studies on the metabolic scission of thiazolidinedione derivatives to acyclic thiols.

T. Baillie, R. Franklin, M. Wallace, 2005, Chemical research in toxicology.

In Vitro and in Vivo Investigations of Dihydropyridine-Based Chemical Delivery Systems for Anticonvulsants

A. Boddy, T. Baillie, J. G. Slatter, 1991, Pharmaceutical Research.

The disposition and metabolism of rofecoxib, a potent and selective cyclooxygenase-2 inhibitor, in human subjects.

T. Baillie, M. Davis, C. Matthews, 2002, Drug metabolism and disposition: the biological fate of chemicals.

Metabolic formation of iminium species: metabolism of phencyclidine.

T. Baillie, J. Adams, N. Castagnoli, 1982, Journal of Medicinal Chemistry.

Synthesis of deuterium‐labelled lithocholic acid

T. Baillie, J. Sjövall, M. Karls, 1978 .

METABOLIC FORMATION OF IMINIUM SPECIES: THE METABOLISM OF PHENCYCLIDINE

T. Baillie, James R. Adams, N. Castagnoli, 1982 .

Acyl glucuronides–mediators of drug-induced toxicities?

T. Baillie, 2023, Medicinal Chemistry Research.

High-throughput, accurate mass liquid chromatography/tandem mass spectrometry on a quadrupole time-of-flight system as a 'first-line' approach for metabolite identification studies.

Sean Yu, T. Baillie, J. Castro-Pérez, 2008, Rapid communications in mass spectrometry : RCM.

Studies on the metabolism and chiral inversion of ibuprofen in isolated rat hepatocytes.

T. Baillie, S. M. Sanins, W. Adams, 1990, Drug metabolism and disposition: the biological fate of chemicals.

INDUCTION OF CYP1A IN THE BEAGLE DOG BY AN INHIBITOR OF KDR KINASE: DIFFERENTIAL EFFECTS IN VITRO AND IN VIVO ON MRNA AND FUNCTIONAL ACTIVITY

A. D. Rodrigues, Catherine, T. Baillie, 2005 .

A new method for the determination of the major metabolite of prostaglandin F2alpha in human urine based on stable isotope dilution and gas chromatography-mass spectrometry.

T. Baillie, A. Brash, G. Draffan, 1976, Biochemical Society transactions.

Origin of 5α‐pregnane‐3α,20α,21‐triol 3‐sulphate in pregnant women

T. Baillie, J. Sjövall, K. Sjövall, 1975 .

Synthesis of clonidine and 1,3‐dimethylclonidine labelled at specific positions with deuterium and carbon‐13

T. Baillie, H. Hughes, 1980 .

The metabolism of clonidine and related imidazoline derivatives in rat liver [proceedings].

E. Neill, T. Baillie, D. Davies, 1978, British Journal of Pharmacology.

The metabolic fate of stiripentol in the rat. Studies on cytochrome P-450-mediated methylenedioxy ring cleavage and side chain isomerism.

T. Baillie, M. Rashed, J. Astoin, 1990, Drug metabolism and disposition: the biological fate of chemicals.

Metabolic activation of a pyrazinone-containing thrombin inhibitor. Evidence for novel biotransformation involving pyrazinone ring oxidation, rearrangement, and covalent binding to proteins.

T. Baillie, P. Pearson, B. Wong, 2003, Chemical research in toxicology.

Role of the site of sulpho‐conjugation on the formation of hydroxylated corticosterone metabolites in the rat

T. Baillie, H. Eriksson, 1975, FEBS letters.

Importance of mechanistic drug metabolism studies in support of drug discovery: A case study with an N -sulfonylated dipeptide VLA-4 antagonist in rats

R. Evers, T. Baillie, D. Dean, 2008 .

Metabolic profiles of montelukast sodium (Singulair), a potent cysteinyl leukotriene1 receptor antagonist, in human plasma and bile.

R. Miller, T. Baillie, X. Xu, 1997, Drug metabolism and disposition: the biological fate of chemicals.

Importance of mechanistic drug metabolism studies in support of drug discovery: A case study with an N -sulfonylated dipeptide VLA-4 antagonist in rats.

R. Evers, T. Baillie, D. Dean, 2008, Xenobiotica; the fate of foreign compounds in biological systems.

Valproate hydroxylation by human fetal tissues and embryotoxicity of metabolites

T. Baillie, A. Rettie, A. Rettenmeier, 1986, Clinical pharmacology and therapeutics.

Metabolic activation of a 1,3-disubstituted piperazine derivative: evidence for a novel ring contraction to an imidazoline.

T. Baillie, R. Nargund, Y. S. Tang, 2005, Chemical research in toxicology.

Validation of (-)-N-3-benzyl-phenobarbital as a selective inhibitor of CYP2C19 in human liver microsomes.

A. D. Rodrigues, T. Baillie, D. Dean, 2004, Drug metabolism and disposition: the biological fate of chemicals.

Pathways of steroid metabolism in vivo studied by deuterium labeling techniques

T. Baillie, R. Anderson, J. Sjövall, 1978 .

Metabolic activation of unsaturated derivatives of valproic acid: role of microsomal versus mitochondrial enzyme systems

T. Baillie, Jasmine Lin, R. Levy, 1992 .