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Items: 1 to 50 of 183

1.

Structure-Guided In Vitro to In Vivo Pharmacokinetic Optimization of Propargyl-Linked Antifolates.

Lombardo MN, G-Dayanandan N, Keshipeddy S, Zhou W, Si D, Reeve SM, Alverson J, Barney P, Walker L, Hoody J, Priestley ND, Obach RS, Wright DL.

Drug Metab Dispos. 2019 Sep;47(9):995-1003. doi: 10.1124/dmd.119.086504. Epub 2019 Jun 14.

PMID:
31201212

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2.

Role of Molybdenum-Containing Enzymes in the Biotransformation of the Novel Ghrelin Receptor Inverse Agonist PF-5190457: A Reverse Translational Bed-to-Bench Approach.

Adusumalli S, Jamwal R, Obach RS, Ryder TF, Leggio L, Akhlaghi F.

Drug Metab Dispos. 2019 Aug;47(8):874-882. doi: 10.1124/dmd.119.087015. Epub 2019 Jun 10.

PMID:
31182423
Free PMC Article

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3.

Emerging Models of Drug Metabolism, Transporters, and Toxicity.

Sawant-Basak A, Obach RS.

Drug Metab Dispos. 2018 Nov;46(11):1556-1561. doi: 10.1124/dmd.118.084293. Review.

PMID:
30333205

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4.

Distribution, Metabolism, and Excretion of Gedatolisib in Healthy Male Volunteers After a Single Intravenous Infusion.

Houk BE, Alvey CW, Visswanathan R, Kirkovsky L, Matschke KT, Kimoto E, Ryder T, Obach RS, Durairaj C.

Clin Pharmacol Drug Dev. 2019 Jan;8(1):22-31. doi: 10.1002/cpdd.615. Epub 2018 Sep 26.

PMID:
30256541

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5.

An Ex Vivo Fermentation Screening Platform to Study Drug Metabolism by Human Gut Microbiota.

van de Steeg E, Schuren FHJ, Obach RS, van Woudenbergh C, Walker GS, Heerikhuisen M, Nooijen IHG, Vaes WHJ.

Drug Metab Dispos. 2018 Nov;46(11):1596-1607. doi: 10.1124/dmd.118.081026. Epub 2018 Aug 29.

PMID:
30158249

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6.

Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds.

Lombardo F, Berellini G, Obach RS.

Drug Metab Dispos. 2018 Nov;46(11):1466-1477. doi: 10.1124/dmd.118.082966. Epub 2018 Aug 16.

PMID:
30115648

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7.

Metabolism of a 5HT6 Antagonist, 2-Methyl-1-(Phenylsulfonyl)-4-(Piperazin-1-yl)-1H-Benzo[d]imidazole (SAM-760): Impact of Sulfonamide Metabolism on Diminution of a Ketoconazole-Mediated Clinical Drug-Drug Interaction.

Sawant-Basak A, Obach RS, Doran A, Lockwood P, Schildknegt K, Gao H, Mancuso J, Tse S, Comery TA.

Drug Metab Dispos. 2018 Jul;46(7):934-942. doi: 10.1124/dmd.118.080457. Epub 2018 Apr 25.

PMID:
29695615

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8.

Lead Diversification at the Nanomole Scale Using Liver Microsomes and Quantitative Nuclear Magnetic Resonance Spectroscopy: Application to Phosphodiesterase 2 Inhibitors.

Obach RS, Walker GS, Sharma R, Jenkinson S, Tran TP, Stepan AF.

J Med Chem. 2018 Apr 26;61(8):3626-3640. doi: 10.1021/acs.jmedchem.8b00116. Epub 2018 Apr 9.

PMID:
29601185

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9.

A Decade in the MIST: Learnings from Investigations of Drug Metabolites in Drug Development under the "Metabolites in Safety Testing" Regulatory Guidance.

Schadt S, Bister B, Chowdhury SK, Funk C, Hop CECA, Humphreys WG, Igarashi F, James AD, Kagan M, Khojasteh SC, Nedderman ANR, Prakash C, Runge F, Scheible H, Spracklin DK, Swart P, Tse S, Yuan J, Obach RS.

Drug Metab Dispos. 2018 Jun;46(6):865-878. doi: 10.1124/dmd.117.079848. Epub 2018 Feb 27. Review.

PMID:
29487142

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10.

Biosynthesis and Identification of Metabolites of Maraviroc and Their Use in Experiments to Delineate the Relative Contributions of Cytochrome P4503A4 versus 3A5.

Tseng E, Fate GD, Walker GS, Goosen TC, Obach RS.

Drug Metab Dispos. 2018 May;46(5):493-502. doi: 10.1124/dmd.117.079855. Epub 2018 Feb 23.

PMID:
29475834

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11.

Late-Stage Microsomal Oxidation Reduces Drug-Drug Interaction and Identifies Phosphodiesterase 2A Inhibitor PF-06815189.

Stepan AF, Tran TP, Helal CJ, Brown MS, Chang C, O'Connor RE, De Vivo M, Doran SD, Fisher EL, Jenkinson S, Karanian D, Kormos BL, Sharma R, Walker GS, Wright AS, Yang EX, Brodney MA, Wager TT, Verhoest PR, Obach RS.

ACS Med Chem Lett. 2018 Jan 4;9(2):68-72. doi: 10.1021/acsmedchemlett.7b00343. eCollection 2018 Feb 8.

PMID:
29456790
Free PMC Article

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12.

Estimation of Circulating Drug Metabolite Exposure in Human Using In Vitro Data and Physiologically Based Pharmacokinetic Modeling: Example of a High Metabolite/Parent Drug Ratio.

Obach RS, Lin J, Kimoto E, Duvvuri S, Nicholas T, Kadar EP, Tremaine LM, Sawant-Basak A.

Drug Metab Dispos. 2018 Feb;46(2):89-99. doi: 10.1124/dmd.117.078279. Epub 2017 Nov 17.

PMID:
29150544

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13.

Quantitative Chemical Proteomic Profiling of the in Vivo Targets of Reactive Drug Metabolites.

Whitby LR, Obach RS, Simon GM, Hayward MM, Cravatt BF.

ACS Chem Biol. 2017 Aug 18;12(8):2040-2050. doi: 10.1021/acschembio.7b00346. Epub 2017 Jun 21.

PMID:
28636309
Free PMC Article

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14.

Professor Yuichi Sugiyama: A Brilliant, Creative, Amicable, Charming, and Humorous Pharmaceutical Scientist.

Kusuhara H, Obach RS, Rostami-Hodjegan A, Pang KS, Hammarlund-Udenaes M, Derendorf H, Artursson P, Huang SM, Suzuki H, Terasaki T.

J Pharm Sci. 2017 Sep;106(9):2188-2194. doi: 10.1016/j.xphs.2017.04.072. Epub 2017 May 4. No abstract available.

PMID:
28479350

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15.

Prediction of Losartan-Active Carboxylic Acid Metabolite Exposure Following Losartan Administration Using Static and Physiologically Based Pharmacokinetic Models.

Nguyen HQ, Lin J, Kimoto E, Callegari E, Tse S, Obach RS.

J Pharm Sci. 2017 Sep;106(9):2758-2770. doi: 10.1016/j.xphs.2017.03.032. Epub 2017 Apr 12.

PMID:
28412400

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16.

An exposure-response analysis based on rifampin suggests CYP3A4 induction is driven by AUC: an in vitro investigation.

Chang C, Yang X, Fahmi OA, Riccardi KA, Di L, Obach RS.

Xenobiotica. 2017 Aug;47(8):673-681. doi: 10.1080/00498254.2016.1222640. Epub 2016 Sep 5.

PMID:
27595796

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17.

The Use of In Vitro Data and Physiologically-Based Pharmacokinetic Modeling to Predict Drug Metabolite Exposure: Desipramine Exposure in Cytochrome P4502D6 Extensive and Poor Metabolizers Following Administration of Imipramine.

Nguyen HQ, Callegari E, Obach RS.

Drug Metab Dispos. 2016 Oct;44(10):1569-78. doi: 10.1124/dmd.116.071639. Epub 2016 Jul 20.

PMID:
27440861

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18.

An Automated High-Throughput Metabolic Stability Assay Using an Integrated High-Resolution Accurate Mass Method and Automated Data Analysis Software.

Shah P, Kerns E, Nguyen DT, Obach RS, Wang AQ, Zakharov A, McKew J, Simeonov A, Hop CE, Xu X.

Drug Metab Dispos. 2016 Oct;44(10):1653-61. doi: 10.1124/dmd.116.072017. Epub 2016 Jul 14.

PMID:
27417180
Free PMC Article

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19.

Use of Human Plasma Samples to Identify Circulating Drug Metabolites that Inhibit Cytochrome P450 Enzymes.

Eng H, Obach RS.

Drug Metab Dispos. 2016 Aug;44(8):1217-28. doi: 10.1124/dmd.116.071084. Epub 2016 Jun 6.

PMID:
27271369

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20.

Mechanistic Modeling to Predict Midazolam Metabolite Exposure from In Vitro Data.

Nguyen HQ, Kimoto E, Callegari E, Obach RS.

Drug Metab Dispos. 2016 May;44(5):781-91. doi: 10.1124/dmd.115.068601. Epub 2016 Mar 8.

PMID:
26956641

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21.

Strategies toward optimization of the metabolism of a series of serotonin-4 partial agonists: investigation of azetidines as piperidine isosteres.

Obach RS, LaChapelle EA, Brodney MA, Vanase-Frawley M, Kauffman GW, Sawant-Basak A.

Xenobiotica. 2016 Dec;46(12):1112-1121. Epub 2016 Mar 7.

PMID:
26947511

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22.

Biosynthesis of Fluorinated Analogs of Drugs Using Human Cytochrome P450 Enzymes Followed by Deoxyfluorination and Quantitative Nuclear Magnetic Resonance Spectroscopy to Improve Metabolic Stability.

Obach RS, Walker GS, Brodney MA.

Drug Metab Dispos. 2016 May;44(5):634-46. doi: 10.1124/dmd.116.069310. Epub 2016 Feb 26.

PMID:
26921388

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23.

Design and optimization of selective azaindole amide M1 positive allosteric modulators.

Davoren JE, O'Neil SV, Anderson DP, Brodney MA, Chenard L, Dlugolenski K, Edgerton JR, Green M, Garnsey M, Grimwood S, Harris AR, Kauffman GW, LaChapelle E, Lazzaro JT, Lee CW, Lotarski SM, Nason DM, Obach RS, Reinhart V, Salomon-Ferrer R, Steyn SJ, Webb D, Yan J, Zhang L.

Bioorg Med Chem Lett. 2016 Jan 15;26(2):650-655. doi: 10.1016/j.bmcl.2015.11.053. Epub 2015 Nov 17.

PMID:
26631313

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24.

Application of a Micropatterned Cocultured Hepatocyte System To Predict Preclinical and Human-Specific Drug Metabolism.

Ballard TE, Wang S, Cox LM, Moen MA, Krzyzewski S, Ukairo O, Obach RS.

Drug Metab Dispos. 2016 Feb;44(2):172-9. doi: 10.1124/dmd.115.066688. Epub 2015 Nov 25.

PMID:
26608083

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25.

Unbiased Scanning Method and Data Banking Approach Using Ultra-High Performance Liquid Chromatography Coupled with High-Resolution Mass Spectrometry for Quantitative Comparison of Metabolite Exposure in Plasma across Species Analyzed at Different Dates.

Gao H, Deng S, Obach RS.

Anal Chem. 2015 Dec 1;87(23):11771-6. doi: 10.1021/acs.analchem.5b03469. Epub 2015 Nov 16.

PMID:
26528960

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26.

The discovery and characterization of the α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor potentiator N-{(3S,4S)-4-[4-(5-cyano-2-thienyl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide (PF-04958242).

Shaffer CL, Patel NC, Schwarz J, Scialis RJ, Wei Y, Hou XJ, Xie L, Karki K, Bryce DK, Osgood SM, Hoffmann WE, Lazzaro JT, Chang C, McGinnis DF, Lotarski SM, Liu J, Obach RS, Weber ML, Chen L, Zasadny KR, Seymour PA, Schmidt CJ, Hajós M, Hurst RS, Pandit J, O'Donnell CJ.

J Med Chem. 2015 May 28;58(10):4291-308. doi: 10.1021/acs.jmedchem.5b00300. Epub 2015 May 14.

PMID:
25905800

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27.

Addressing the challenges of low clearance in drug research.

Di L, Obach RS.

AAPS J. 2015 Mar;17(2):352-7. doi: 10.1208/s12248-014-9691-7. Epub 2015 Jan 8. Review.

PMID:
25567366
Free PMC Article

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28.

Chemical and computational methods for the characterization of covalent reactive groups for the prospective design of irreversible inhibitors.

Flanagan ME, Abramite JA, Anderson DP, Aulabaugh A, Dahal UP, Gilbert AM, Li C, Montgomery J, Oppenheimer SR, Ryder T, Schuff BP, Uccello DP, Walker GS, Wu Y, Brown MF, Chen JM, Hayward MM, Noe MC, Obach RS, Philippe L, Shanmugasundaram V, Shapiro MJ, Starr J, Stroh J, Che Y.

J Med Chem. 2014 Dec 11;57(23):10072-9. doi: 10.1021/jm501412a. Epub 2014 Nov 26.

PMID:
25375838

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29.

Disposition and metabolic profiling of [(14)C]cerlapirdine using accelerator mass spectrometry.

Tse S, Leung L, Raje S, Seymour M, Shishikura Y, Obach RS.

Drug Metab Dispos. 2014 Dec;42(12):2023-32. doi: 10.1124/dmd.114.059675. Epub 2014 Sep 12.

PMID:
25217486

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30.

Biosynthesis of drug metabolites and quantitation using NMR spectroscopy for use in pharmacologic and drug metabolism studies.

Walker GS, Bauman JN, Ryder TF, Smith EB, Spracklin DK, Obach RS.

Drug Metab Dispos. 2014 Oct;42(10):1627-39. doi: 10.1124/dmd.114.059204. Epub 2014 Jul 22.

PMID:
25053618

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31.

Clearance mechanism assignment and total clearance prediction in human based upon in silico models.

Lombardo F, Obach RS, Varma MV, Stringer R, Berellini G.

J Med Chem. 2014 May 22;57(10):4397-405. doi: 10.1021/jm500436v. Epub 2014 May 6.

PMID:
24773013

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32.

Relative contributions of cytochrome CYP3A4 versus CYP3A5 for CYP3A-cleared drugs assessed in vitro using a CYP3A4-selective inactivator (CYP3cide).

Tseng E, Walsky RL, Luzietti RA Jr, Harris JJ, Kosa RE, Goosen TC, Zientek MA, Obach RS.

Drug Metab Dispos. 2014 Jul;42(7):1163-73. doi: 10.1124/dmd.114.057000. Epub 2014 Apr 15.

PMID:
24737844

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33.

Data-driven approach for cross-species comparative metabolite exposure assessment: how to establish fundamental bioanalytical parameters for the peak area ratio method.

Gao H, Obach RS.

Bioanalysis. 2014 Mar;6(5):641-50. doi: 10.4155/bio.14.15.

PMID:
24620806

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34.

Generation of major human excretory and circulating drug metabolites using a hepatocyte relay method.

Ballard TE, Orozco CC, Obach RS.

Drug Metab Dispos. 2014 May;42(5):899-902. doi: 10.1124/dmd.114.057026. Epub 2014 Mar 7.

PMID:
24608634

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35.

Consideration of the unbound drug concentration in enzyme kinetics.

Waters NJ, Obach RS, Di L.

Methods Mol Biol. 2014;1113:119-45. doi: 10.1007/978-1-62703-758-7_7. Review.

PMID:
24523111

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36.

Metabolism and clinical pharmacokinetics of 2-methyl-n-(2'-(pyrrolidinyl-1-ylsulfonyl)-n-[1,1'-biphenyl]-4-yl)propran-1-amine: insights into monoamine oxidase- and CYP-mediated disposition by integration of in vitro ADME tools.

Sawant Basak A, Byon W, Tseng-Lovering E, Funk C, Wood L, Lin C, Delnomdedieu M, Verhoest P, Parikh V, Cox LM, Miller E, Gao H, Obach RS.

Xenobiotica. 2014 May;44(5):438-54. doi: 10.3109/00498254.2013.850552. Epub 2013 Dec 4.

PMID:
24304147

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37.

Benchmarking in vitro covalent binding burden as a tool to assess potential toxicity caused by nonspecific covalent binding of covalent drugs.

Dahal UP, Obach RS, Gilbert AM.

Chem Res Toxicol. 2013 Nov 18;26(11):1739-45. doi: 10.1021/tx400301q. Epub 2013 Oct 28.

PMID:
24164572

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38.

A perspective on the prediction of drug pharmacokinetics and disposition in drug research and development.

Di L, Feng B, Goosen TC, Lai Y, Steyn SJ, Varma MV, Obach RS.

Drug Metab Dispos. 2013 Dec;41(12):1975-93. doi: 10.1124/dmd.113.054031. Epub 2013 Sep 24.

PMID:
24065860

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39.

Evaluation of various static in vitro-in vivo extrapolation models for risk assessment of the CYP3A inhibition potential of an investigational drug.

Vieira ML, Kirby B, Ragueneau-Majlessi I, Galetin A, Chien JY, Einolf HJ, Fahmi OA, Fischer V, Fretland A, Grime K, Hall SD, Higgs R, Plowchalk D, Riley R, Seibert E, Skordos K, Snoeys J, Venkatakrishnan K, Waterhouse T, Obach RS, Berglund EG, Zhang L, Zhao P, Reynolds KS, Huang SM.

Clin Pharmacol Ther. 2014 Feb;95(2):189-98. doi: 10.1038/clpt.2013.187. Epub 2013 Sep 18.

PMID:
24048277

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40.

Evaluation of various static and dynamic modeling methods to predict clinical CYP3A induction using in vitro CYP3A4 mRNA induction data.

Einolf HJ, Chen L, Fahmi OA, Gibson CR, Obach RS, Shebley M, Silva J, Sinz MW, Unadkat JD, Zhang L, Zhao P.

Clin Pharmacol Ther. 2014 Feb;95(2):179-88. doi: 10.1038/clpt.2013.170. Epub 2013 Aug 29.

PMID:
23995268

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41.

Aldehyde oxidase 1 (AOX1) in human liver cytosols: quantitative characterization of AOX1 expression level and activity relationship.

Fu C, Di L, Han X, Soderstrom C, Snyder M, Troutman MD, Obach RS, Zhang H.

Drug Metab Dispos. 2013 Oct;41(10):1797-804. doi: 10.1124/dmd.113.053082. Epub 2013 Jul 15.

PMID:
23857892

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42.

In vitro-in vivo correlation for low-clearance compounds using hepatocyte relay method.

Di L, Atkinson K, Orozco CC, Funk C, Zhang H, McDonald TS, Tan B, Lin J, Chang C, Obach RS.

Drug Metab Dispos. 2013 Dec;41(12):2018-23. doi: 10.1124/dmd.113.053322. Epub 2013 Jul 15.

PMID:
23857891

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43.

Meeting report: metabolites in safety testing (MIST) symposium-safety assessment of human metabolites: what's REALLY necessary to ascertain exposure coverage in safety tests?

Gao H, Jacobs A, White RE, Booth BP, Obach RS.

AAPS J. 2013 Oct;15(4):970-3. doi: 10.1208/s12248-013-9502-6. Epub 2013 Jul 3.

PMID:
23821354
Free PMC Article

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44.

Drug metabolites as cytochrome p450 inhibitors: a retrospective analysis and proposed algorithm for evaluation of the pharmacokinetic interaction potential of metabolites in drug discovery and development.

Callegari E, Kalgutkar AS, Leung L, Obach RS, Plowchalk DR, Tse S.

Drug Metab Dispos. 2013 Dec;41(12):2047-55. doi: 10.1124/dmd.113.052241. Epub 2013 Jun 21.

PMID:
23792812

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45.

Metabolism of a serotonin-4 receptor partial agonist 4-{4-[4-tetrahydrofuran-3-yloxy)-benzo[d]isoxazol-3-yloxymethyl]-piperidin-1-ylmethyl}-tetrahydropyran-4-ol (TBPT): identification of an unusual pharmacologically active cyclized oxazolidine metabolite in human.

Sawant-Basak A, Coffman KJ, Walker GS, Ryder TF, Tseng E, Miller E, Lee C, Vanase-Frawley MA, Wong JW, Brodney MA, Rapp T, Obach RS.

J Pharm Sci. 2013 Sep;102(9):3277-93. doi: 10.1002/jps.23542. Epub 2013 Apr 15.

PMID:
23589342

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46.

Comprehensive assessment of human pharmacokinetic prediction based on in vivo animal pharmacokinetic data, part 2: clearance.

Lombardo F, Waters NJ, Argikar UA, Dennehy MK, Zhan J, Gunduz M, Harriman SP, Berellini G, Liric Rajlic I, Obach RS.

J Clin Pharmacol. 2013 Feb;53(2):178-91. doi: 10.1177/0091270012440282. Epub 2013 Jan 24.

PMID:
23436263

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47.

Comprehensive assessment of human pharmacokinetic prediction based on in vivo animal pharmacokinetic data, part 1: volume of distribution at steady state.

Lombardo F, Waters NJ, Argikar UA, Dennehy MK, Zhan J, Gunduz M, Harriman SP, Berellini G, Rajlic IL, Obach RS.

J Clin Pharmacol. 2013 Feb;53(2):167-77. doi: 10.1177/0091270012440281. Epub 2013 Jan 24. Erratum in: J Clin Pharmacol. 2013 May;53(5):574.

PMID:
23436262

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48.

Pharmacologically active drug metabolites: impact on drug discovery and pharmacotherapy.

Obach RS.

Pharmacol Rev. 2013 Feb 13;65(2):578-640. doi: 10.1124/pr.111.005439. Print 2013 Apr. Review.

PMID:
23406671

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49.

Strategies for a comprehensive understanding of metabolism by aldehyde oxidase.

Hutzler JM, Obach RS, Dalvie D, Zientek MA.

Expert Opin Drug Metab Toxicol. 2013 Feb;9(2):153-68. doi: 10.1517/17425255.2013.738668. Epub 2012 Dec 12. Review.

PMID:
23231678

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50.

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

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