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Items: 1 to 50 of 181

1.

Safety Assessment of Acyl Glucuronides-A Simplified Paradigm.

Smith DA, Hammond T, Baillie TA.

Drug Metab Dispos. 2018 Jun;46(6):908-912. doi: 10.1124/dmd.118.080515. Epub 2018 Mar 20.

PMID:
29559442
2.

Targeted Covalent Inhibitors for Drug Design.

Baillie TA.

Angew Chem Int Ed Engl. 2016 Oct 17;55(43):13408-13421. doi: 10.1002/anie.201601091. Epub 2016 Aug 19. Review.

PMID:
27539547
3.

Biotransformation and bioactivation reactions - 2015 literature highlights.

Baillie TA, Dalvie D, Rietjens IM, Cyrus Khojasteh S.

Drug Metab Rev. 2016 May;48(2):113-38. doi: 10.1080/03602532.2016.1195404. Review.

PMID:
27362326
4.

The contributions of Sidney D. Nelson to drug metabolism research.

Baillie TA.

Drug Metab Rev. 2015 Feb;47(1):4-11. doi: 10.3109/03602532.2014.985790. Epub 2014 Nov 20. Review.

PMID:
25410914
5.

The generation, detection, and effects of reactive drug metabolites.

Stachulski AV, Baillie TA, Park BK, Obach RS, Dalvie DK, Williams DP, Srivastava A, Regan SL, Antoine DJ, Goldring CE, Chia AJ, Kitteringham NR, Randle LE, Callan H, Castrejon JL, Farrell J, Naisbitt DJ, Lennard MS.

Med Res Rev. 2013 Sep;33(5):985-1080. doi: 10.1002/med.21273. Epub 2012 Oct 22. Review.

PMID:
23090860
6.

An inducible cytochrome P450 3A4-dependent vitamin D catabolic pathway.

Wang Z, Lin YS, Zheng XE, Senn T, Hashizume T, Scian M, Dickmann LJ, Nelson SD, Baillie TA, Hebert MF, Blough D, Davis CL, Thummel KE.

Mol Pharmacol. 2012 Apr;81(4):498-509. doi: 10.1124/mol.111.076356. Epub 2011 Dec 28.

7.

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.

Stepan AF, Walker DP, Bauman J, Price DA, Baillie TA, Kalgutkar AS, Aleo MD.

Chem Res Toxicol. 2011 Sep 19;24(9):1345-410. doi: 10.1021/tx200168d. Epub 2011 Jul 11. Review.

PMID:
21702456
8.

The resurgence of covalent drugs.

Singh J, Petter RC, Baillie TA, Whitty A.

Nat Rev Drug Discov. 2011 Apr;10(4):307-17. doi: 10.1038/nrd3410. Review.

PMID:
21455239
9.

Managing the challenge of chemically reactive metabolites in drug development.

Park BK, Boobis A, Clarke S, Goldring CE, Jones D, Kenna JG, Lambert C, Laverty HG, Naisbitt DJ, Nelson S, Nicoll-Griffith DA, Obach RS, Routledge P, Smith DA, Tweedie DJ, Vermeulen N, Williams DP, Wilson ID, Baillie TA.

Nat Rev Drug Discov. 2011 Apr;10(4):292-306. doi: 10.1038/nrd3408. Review.

PMID:
21455238
10.

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

Baillie TA, Rettie AE.

Drug Metab Pharmacokinet. 2011;26(1):15-29. Epub 2010 Oct 22. Review.

11.

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

Kumar S, Mitra K, Kassahun K, Baillie TA.

Handb Exp Pharmacol. 2010;(196):511-44. doi: 10.1007/978-3-642-00663-0_19. Review.

PMID:
20020275
12.

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

Baillie TA.

Chem Res Toxicol. 2009 Feb;22(2):263-6. doi: 10.1021/tx800439k.

PMID:
19216579
13.

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

Tiller PR, Yu S, Bateman KP, Castro-Perez J, McIntosh IS, Kuo Y, Baillie TA.

Rapid Commun Mass Spectrom. 2008 Nov;22(22):3510-6. doi: 10.1002/rcm.3758.

PMID:
18853407
14.

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

Tang W, Stearns RA, Wang RW, Miller RR, Chen Q, Ngui J, Bakshi RK, Nargund RP, Dean DC, Baillie TA.

Xenobiotica. 2008 Nov;38(11):1437-51. doi: 10.1080/00498250802464685.

PMID:
18841517
15.

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.

Tiller PR, Yu S, Castro-Perez J, Fillgrove KL, Baillie TA.

Rapid Commun Mass Spectrom. 2008 Apr;22(7):1053-61. doi: 10.1002/rcm.3472.

PMID:
18327855
16.

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

Tang W, Stearns RA, Chen Q, Bleasby K, Teffera Y, Colletti A, Hafey M, Evers R, Dean DC, Magriotis PA, Lanza TJ, Lin LS, Hagmann WK, Baillie TA.

Xenobiotica. 2008 Feb;38(2):223-37. doi: 10.1080/00498250701744682 .

PMID:
18197560
17.

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

Kumar S, Kassahun K, Tschirret-Guth RA, Mitra K, Baillie TA.

Curr Opin Drug Discov Devel. 2008 Jan;11(1):43-52. Review.

PMID:
18175266
18.

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

Baillie TA.

Chem Res Toxicol. 2008 Jan;21(1):129-37. Epub 2007 Dec 4. Review.

PMID:
18052111
19.

In vitro metabolic activation of lumiracoxib in rat and human liver preparations.

Li Y, Slatter JG, Zhang Z, Li Y, Doss GA, Braun MP, Stearns RA, Dean DC, Baillie TA, Tang W.

Drug Metab Dispos. 2008 Feb;36(2):469-73. Epub 2007 Nov 12.

PMID:
17998295
20.

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

Sandhu P, Andrews PA, Baker MP, Koeplinger KA, Soli ED, Miller T, Baillie TA.

Drug Metab Lett. 2007 Apr;1(2):153-61.

PMID:
19356036
21.

Addressing metabolic activation as an integral component of drug design.

Doss GA, Baillie TA.

Drug Metab Rev. 2006;38(4):641-9. Review.

PMID:
17145693
22.

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

Prueksaritanont T, Lin JH, Baillie TA.

Toxicol Appl Pharmacol. 2006 Dec 1;217(2):143-52. Epub 2006 Sep 1.

PMID:
17055014
23.
24.

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.

Chen Q, Doss GA, Tung EC, Liu W, Tang YS, Braun MP, Didolkar V, Strauss JR, Wang RW, Stearns RA, Evans DC, Baillie TA, Tang W.

Drug Metab Dispos. 2006 Jan;34(1):145-51. Epub 2005 Oct 26.

PMID:
16251255
25.

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.

Kassahun K, Skordos K, McIntosh I, Slaughter D, Doss GA, Baillie TA, Yost GS.

Chem Res Toxicol. 2005 Sep;18(9):1427-37.

PMID:
16167835
26.

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

Tang C, Subramanian R, Kuo Y, Krymgold S, Lu P, Kuduk SD, Ng C, Feng DM, Elmore C, Soli E, Ho J, Bock MG, Baillie TA, Prueksaritanont T.

Chem Res Toxicol. 2005 Jun;18(6):934-45.

PMID:
15962928
27.

Bridging cheminformatic metabolite prediction and tandem mass spectrometry.

Anari MR, Baillie TA.

Drug Discov Today. 2005 May 15;10(10):711-7. Review.

PMID:
15896684
28.

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

Reddy VB, Karanam BV, Gruber WL, Wallace MA, Vincent SH, Franklin RB, Baillie TA.

Chem Res Toxicol. 2005 May;18(5):880-8.

PMID:
15892582
29.

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.

Gibson CR, Lin C, Singh R, Brown CM, Richards K, Brunner J, Michel K, Adelsberger J, Carlini E, Boothe-Genthe C, Raab C, Luu M, Michael A, Parikh M, Ciecko P, Subramanian R, Krolikowski P, Rodrigues AD, Baillie TA, Rushmore TH.

Drug Metab Dispos. 2005 Jul;33(7):1044-51. Epub 2005 Apr 15.

PMID:
15833927
30.

In vitro bioactivation of dihydrobenzoxathiin selective estrogen receptor modulators by cytochrome P450 3A4 in human liver microsomes: formation of reactive iminium and quinone type metabolites.

Zhang Z, Chen Q, Li Y, Doss GA, Dean BJ, Ngui JS, Silva Elipe M, Kim S, Wu JY, Dininno F, Hammond ML, Stearns RA, Evans DC, Baillie TA, Tang W.

Chem Res Toxicol. 2005 Apr;18(4):675-85.

PMID:
15833027
31.

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

Dieckhaus CM, Fernández-Metzler CL, King R, Krolikowski PH, Baillie TA.

Chem Res Toxicol. 2005 Apr;18(4):630-8.

PMID:
15833023
32.

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

Doss GA, Miller RR, Zhang Z, Teffera Y, Nargund RP, Palucki B, Park MK, Tang YS, Evans DC, Baillie TA, Stearns RA.

Chem Res Toxicol. 2005 Feb;18(2):271-6.

PMID:
15720132
33.

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

Evans DC, Baillie TA.

Curr Opin Drug Discov Devel. 2005 Jan;8(1):44-50. Review.

PMID:
15679171
34.

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

Zhang Z, Li Y, Shou M, Zhang Y, Ngui JS, Stearns RA, Evans DC, Baillie TA, Tang W.

Xenobiotica. 2004 May;34(5):473-86.

PMID:
15370963
35.

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.

Sandhu P, Vogel JS, Rose MJ, Ubick EA, Brunner JE, Wallace MA, Adelsberger JK, Baker MP, Henderson PT, Pearson PG, Baillie TA.

Drug Metab Dispos. 2004 Nov;32(11):1254-9. Epub 2004 Jul 30.

PMID:
15286054
36.

Effect of quinidine on the 10-hydroxylation of R-warfarin: species differences and clearance projection.

Chen Q, Tan E, Strauss JR, Zhang Z, Fenyk-Melody JE, Booth-Genthe C, Rushmore TH, Stearns RA, Evans DC, Baillie TA, Tang W.

J Pharmacol Exp Ther. 2004 Oct;311(1):307-14. Epub 2004 May 26.

PMID:
15163679
37.

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

Cai X, Wang RW, Edom RW, Evans DC, Shou M, Rodrigues AD, Liu W, Dean DC, Baillie TA.

Drug Metab Dispos. 2004 Jun;32(6):584-6.

PMID:
15155548
38.
39.

Organic chemistry in drug discovery.

MacCoss M, Baillie TA.

Science. 2004 Mar 19;303(5665):1810-3.

PMID:
15031494
41.

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

Huskey SE, Dean BJ, Doss GA, Wang Z, Hop CE, Anari R, Finke PE, Robichaud AJ, Zhang M, Wang B, Strauss JR, Cunningham PK, Feeney WP, Franklin RB, Baillie TA, Chiu SH.

Drug Metab Dispos. 2004 Feb;32(2):246-58.

PMID:
14744948
42.

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

Evans DC, Watt AP, Nicoll-Griffith DA, Baillie TA.

Chem Res Toxicol. 2004 Jan;17(1):3-16. Review. Erratum in: Chem Res Toxicol. 2005 Nov;18(11):1777.

PMID:
14727914
43.

Metabolism of rofecoxib in vitro using human liver subcellular fractions.

Slaughter D, Takenaga N, Lu P, Assang C, Walsh DJ, Arison BH, Cui D, Halpin RA, Geer LA, Vyas KP, Baillie TA.

Drug Metab Dispos. 2003 Nov;31(11):1398-408.

PMID:
14570773
44.

Pharmacokinetics and interactions of a novel antagonist of chemokine receptor 5 (CCR5) with ritonavir in rats and monkeys: role of CYP3A and P-glycoprotein.

Kumar S, Kwei GY, Poon GK, Iliff SA, Wang Y, Chen Q, Franklin RB, Didolkar V, Wang RW, Yamazaki M, Chiu SH, Lin JH, Pearson PG, Baillie TA.

J Pharmacol Exp Ther. 2003 Mar;304(3):1161-71.

PMID:
12604693
45.

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

Singh R, Silva Elipe MV, Pearson PG, Arison BH, Wong BK, White R, Yu X, Burgey CS, Lin JH, Baillie TA.

Chem Res Toxicol. 2003 Feb;16(2):198-207.

PMID:
12588191
46.
47.

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

Wang Z, Hop CE, Kim MS, Huskey SE, Baillie TA, Guan Z.

Rapid Commun Mass Spectrom. 2003;17(1):81-6.

PMID:
12478558
48.

Extrapolation of diclofenac clearance from in vitro microsomal metabolism data: role of acyl glucuronidation and sequential oxidative metabolism of the acyl glucuronide.

Kumar S, Samuel K, Subramanian R, Braun MP, Stearns RA, Chiu SH, Evans DC, Baillie TA.

J Pharmacol Exp Ther. 2002 Dec;303(3):969-78.

PMID:
12438516
49.

Drug metabolites in safety testing.

Baillie TA, Cayen MN, Fouda H, Gerson RJ, Green JD, Grossman SJ, Klunk LJ, LeBlanc B, Perkins DG, Shipley LA.

Toxicol Appl Pharmacol. 2002 Aug 1;182(3):188-96. Review.

PMID:
12229863
50.

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

Chen Q, Ngui JS, Doss GA, Wang RW, Cai X, DiNinno FP, Blizzard TA, Hammond ML, Stearns RA, Evans DC, Baillie TA, Tang W.

Chem Res Toxicol. 2002 Jul;15(7):907-14.

PMID:
12119000

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