-
1
-
-
69849089067
-
Two-injection workflow for a liquid chromatography/LTQ-Orbitrap system to complete in vivo biotransformation characterization: Demonstration with buspirone metabolite identification
-
A.C. Li Two-injection workflow for a liquid chromatography/LTQ-Orbitrap system to complete in vivo biotransformation characterization: demonstration with buspirone metabolite identification Rapid Commun. Mass Spectrom. 23 2009 3003 3012
-
(2009)
Rapid Commun. Mass Spectrom.
, vol.23
, pp. 3003-3012
-
-
Li, A.C.1
-
2
-
-
79953659132
-
Recent development in liquid chromatography/mass spectrometry and emerging technologies for metabolite identification
-
Y. Liang Recent development in liquid chromatography/mass spectrometry and emerging technologies for metabolite identification Curr. Drug Metab. 12 2011 329 344
-
(2011)
Curr. Drug Metab.
, vol.12
, pp. 329-344
-
-
Liang, Y.1
-
3
-
-
25144438177
-
Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis
-
R.J. Mortishire-Smith Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis Rapid Commun. Mass Spectrom. 19 2005 2659 2670
-
(2005)
Rapid Commun. Mass Spectrom.
, vol.19
, pp. 2659-2670
-
-
Mortishire-Smith, R.J.1
-
4
-
-
34250630538
-
Simultaneous determination of metabolic stability and identification of buspirone metabolites using multiple column fast liquid chromatography time-of-flight mass spectrometry
-
E. Nagele, and A.S. Fandino Simultaneous determination of metabolic stability and identification of buspirone metabolites using multiple column fast liquid chromatography time-of-flight mass spectrometry J. Chromatogr. A 1156 2007 196 200
-
(2007)
J. Chromatogr. A
, vol.1156
, pp. 196-200
-
-
Nagele, E.1
Fandino, A.S.2
-
5
-
-
0042090318
-
Metabolite characterization in drug discovery utilizing robotic liquid-handling, quadruple time-of-flight mass spectrometry and in-silico prediction
-
A.E. Nassar, and P.E. Adams Metabolite characterization in drug discovery utilizing robotic liquid-handling, quadruple time-of-flight mass spectrometry and in-silico prediction Curr. Drug Metab. 4 2003 259 271
-
(2003)
Curr. Drug Metab.
, vol.4
, pp. 259-271
-
-
Nassar, A.E.1
Adams, P.E.2
-
6
-
-
53549097600
-
-
U.s. Department Of Health And Human Services Food And Drug Administration (cder) U.S. FDA Center for Drug Evaluation and Research
-
U.S. Department of Health and Human Services, Food and Drug Administration (CDER) Guidance for Industry Safety Testing of Drug Metabolites 2008 U.S. FDA Center for Drug Evaluation and Research http://www.fda.gov/cder/ guidance/index.htm
-
(2008)
Guidance for Industry Safety Testing of Drug Metabolites
-
-
-
7
-
-
84875741031
-
-
International Conference On Harmonisation Of Technical Requirements For Registration Of Pharmaceuticals For Human Use
-
International Conference on Harmonisation of Technical Requirements for Registration of Pharmaceuticals for Human Use Guidance on Nonclinical Safety Studies for the Conduct of Human Clinical Trials and Marketing Authorization for Pharmaceuticals. M3(R2) 2009 http://www.ich.org/products/guidelines/safety/ safety-single/article/guidance-on-nonclinical-safety-studies-for-the-conduct-of- human-clinical-trials-and-marketing-author.html
-
(2009)
Guidance on Nonclinical Safety Studies for the Conduct of Human Clinical Trials and Marketing Authorization for Pharmaceuticals. M3(R2)
-
-
-
8
-
-
17644404394
-
Negative ion tandem mass spectrometry for the detection of glutathione conjugates
-
C.M. Dieckhaus Negative ion tandem mass spectrometry for the detection of glutathione conjugates Chem. Res. Toxicol. 18 2005 630 638
-
(2005)
Chem. Res. Toxicol.
, vol.18
, pp. 630-638
-
-
Dieckhaus, C.M.1
-
9
-
-
79953314978
-
Managing the challenge of chemically reactive metabolites in drug development
-
B.K. Park Managing the challenge of chemically reactive metabolites in drug development Nat. Rev. Drug Discov. 10 2011 292 306
-
(2011)
Nat. Rev. Drug Discov.
, vol.10
, pp. 292-306
-
-
Park, B.K.1
-
10
-
-
0035416421
-
Systematic LC/MS metabolite identification in drug discovery
-
N.J. Clarke Systematic LC/MS metabolite identification in drug discovery Anal. Chem. 73 2001 430A 439A
-
(2001)
Anal. Chem.
, vol.73
-
-
Clarke, N.J.1
-
11
-
-
33745920196
-
Feasibility of different mass spectrometric techniques and programs for automated metabolite profiling of tramadol in human urine
-
K.S. Hakala Feasibility of different mass spectrometric techniques and programs for automated metabolite profiling of tramadol in human urine Rapid Commun. Mass Spectrom. 20 2006 2081 2090
-
(2006)
Rapid Commun. Mass Spectrom.
, vol.20
, pp. 2081-2090
-
-
Hakala, K.S.1
-
12
-
-
34250707998
-
Metabolite identification by data-dependent accurate mass spectrometric analysis at resolving power of 60,000 in external calibration mode using an LTQ/Orbitrap
-
H.K. Lim Metabolite identification by data-dependent accurate mass spectrometric analysis at resolving power of 60,000 in external calibration mode using an LTQ/Orbitrap Rapid Commun. Mass Spectrom. 21 2007 1821 1832
-
(2007)
Rapid Commun. Mass Spectrom.
, vol.21
, pp. 1821-1832
-
-
Lim, H.K.1
-
13
-
-
34248582576
-
Analytical strategies for identifying drug metabolites
-
C. Prakash Analytical strategies for identifying drug metabolites Mass Spectrom. Rev. 26 2007 340 369
-
(2007)
Mass Spectrom. Rev.
, vol.26
, pp. 340-369
-
-
Prakash, C.1
-
14
-
-
77949592420
-
Comparison of triple quadrupole, hybrid linear ion trap triple quadrupole, time-of-flight and LTQ-Orbitrap mass spectrometers in drug discovery phase metabolite screening and identification in vitro-amitriptyline and verapamil as model compounds
-
T. Rousu Comparison of triple quadrupole, hybrid linear ion trap triple quadrupole, time-of-flight and LTQ-Orbitrap mass spectrometers in drug discovery phase metabolite screening and identification in vitro-amitriptyline and verapamil as model compounds Rapid Commun. Mass Spectrom. 24 2010 939 957
-
(2010)
Rapid Commun. Mass Spectrom.
, vol.24
, pp. 939-957
-
-
Rousu, T.1
-
15
-
-
34547344360
-
New analytical strategies in studying drug metabolism
-
R.F. Staack, and G. Hopfgartner New analytical strategies in studying drug metabolism Anal. Bioanal. Chem. 388 2007 1365 1380
-
(2007)
Anal. Bioanal. Chem.
, vol.388
, pp. 1365-1380
-
-
Staack, R.F.1
Hopfgartner, G.2
-
16
-
-
58849124556
-
Liquid chromatography-mass spectrometry in in vitro drug metabolite screening
-
A. Tolonen Liquid chromatography-mass spectrometry in in vitro drug metabolite screening Drug Discov. Today 14 2009 120 133
-
(2009)
Drug Discov. Today
, vol.14
, pp. 120-133
-
-
Tolonen, A.1
-
17
-
-
79960431407
-
Drug metabolite profiling and identification by high-resolution mass spectrometry
-
M. Zhu Drug metabolite profiling and identification by high-resolution mass spectrometry J. Biol. Chem. 286 2011 25419 25425
-
(2011)
J. Biol. Chem.
, vol.286
, pp. 25419-25425
-
-
Zhu, M.1
-
18
-
-
79960013720
-
Analytical strategies for assessment of human metabolites in preclinical safety testing
-
S. Ma, and S.K. Chowdhury Analytical strategies for assessment of human metabolites in preclinical safety testing Anal. Chem. 83 2011 5028 5036
-
(2011)
Anal. Chem.
, vol.83
, pp. 5028-5036
-
-
Ma, S.1
Chowdhury, S.K.2
-
19
-
-
60549095002
-
Metabolic soft spot identification and compound optimization in early discovery phases using MetaSite and LC-MS/MS validation
-
M. Trunzer Metabolic soft spot identification and compound optimization in early discovery phases using MetaSite and LC-MS/MS validation J. Med. Chem. 52 2009 329 335
-
(2009)
J. Med. Chem.
, vol.52
, pp. 329-335
-
-
Trunzer, M.1
-
20
-
-
39749201504
-
An integrated method for metabolite detection and identification using a linear ion trap/Orbitrap mass spectrometer and multiple data processing techniques: Application to indinavir metabolite detection
-
Q. Ruan An integrated method for metabolite detection and identification using a linear ion trap/Orbitrap mass spectrometer and multiple data processing techniques: application to indinavir metabolite detection J. Mass Spectrom. 43 2008 251 261
-
(2008)
J. Mass Spectrom.
, vol.43
, pp. 251-261
-
-
Ruan, Q.1
-
21
-
-
34248572197
-
MSE with mass defect filtering for in vitro and in vivo metabolite identification
-
K.P. Bateman MSE with mass defect filtering for in vitro and in vivo metabolite identification Rapid Commun. Mass Spectrom. 21 2007 1485 1496
-
(2007)
Rapid Commun. Mass Spectrom.
, vol.21
, pp. 1485-1496
-
-
Bateman, K.P.1
-
22
-
-
78649402523
-
Enhanced metabolite identification with MS(E) and a semi-automated software for structural elucidation
-
B. Bonn Enhanced metabolite identification with MS(E) and a semi-automated software for structural elucidation Rapid Commun. Mass Spectrom. 24 2010 3127 3138
-
(2010)
Rapid Commun. Mass Spectrom.
, vol.24
, pp. 3127-3138
-
-
Bonn, B.1
-
23
-
-
33748656068
-
Thiazolidinedione bioactivation: A comparison of the bioactivation potentials of troglitazone, rosiglitazone, and pioglitazone using stable isotope-labeled analogues and liquid chromatography tandem mass spectrometry
-
R. Alvarez-Sanchez Thiazolidinedione bioactivation: a comparison of the bioactivation potentials of troglitazone, rosiglitazone, and pioglitazone using stable isotope-labeled analogues and liquid chromatography tandem mass spectrometry Chem. Res. Toxicol. 19 2006 1106 1116
-
(2006)
Chem. Res. Toxicol.
, vol.19
, pp. 1106-1116
-
-
Alvarez-Sanchez, R.1
-
24
-
-
60149085734
-
A new approach to aid the characterisation and identification of metabolites of a model drug; Partial isotope enrichment combined with novel formula elucidation software
-
K. Hobby A new approach to aid the characterisation and identification of metabolites of a model drug; partial isotope enrichment combined with novel formula elucidation software Rapid Commun. Mass Spectrom. 23 2009 219 227
-
(2009)
Rapid Commun. Mass Spectrom.
, vol.23
, pp. 219-227
-
-
Hobby, K.1
-
25
-
-
79953751037
-
High-performance liquid chromatography-mass spectrometry (HPLC-MS)-based drug metabolite profiling
-
I.D. Wilson High-performance liquid chromatography-mass spectrometry (HPLC-MS)-based drug metabolite profiling Methods Mol. Biol. 708 2011 173 190
-
(2011)
Methods Mol. Biol.
, vol.708
, pp. 173-190
-
-
Wilson, I.D.1
-
26
-
-
0034663268
-
Use of a microplate scintillation counter as a radioactivity detector for miniaturized separation techniques in drug metabolism
-
K.O. Boernsen Use of a microplate scintillation counter as a radioactivity detector for miniaturized separation techniques in drug metabolism Anal. Chem. 72 2000 3956 3959
-
(2000)
Anal. Chem.
, vol.72
, pp. 3956-3959
-
-
Boernsen, K.O.1
-
27
-
-
33750102850
-
A microplate solid scintillation counter as a radioactivity detector for high performance liquid chromatography in drug metabolism: Validation and applications
-
G.J. Bruin A microplate solid scintillation counter as a radioactivity detector for high performance liquid chromatography in drug metabolism: validation and applications J. Chromatogr. A 1133 2006 184 194
-
(2006)
J. Chromatogr. A
, vol.1133
, pp. 184-194
-
-
Bruin, G.J.1
-
28
-
-
46849091191
-
Mass defect profiles of biological matrices and the general applicability of mass defect filtering for metabolite detection
-
H. Zhang Mass defect profiles of biological matrices and the general applicability of mass defect filtering for metabolite detection Rapid Commun. Mass Spectrom. 22 2008 2082 2088
-
(2008)
Rapid Commun. Mass Spectrom.
, vol.22
, pp. 2082-2088
-
-
Zhang, H.1
-
29
-
-
19444367378
-
Bridging cheminformatic metabolite prediction and tandem mass spectrometry
-
M.R. Anari, and T.A. Baillie Bridging cheminformatic metabolite prediction and tandem mass spectrometry Drug Discov. Today 10 2005 711 717
-
(2005)
Drug Discov. Today
, vol.10
, pp. 711-717
-
-
Anari, M.R.1
Baillie, T.A.2
-
30
-
-
0842327199
-
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
-
M.R. Anari 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 Anal. Chem. 76 2004 823 832
-
(2004)
Anal. Chem.
, vol.76
, pp. 823-832
-
-
Anari, M.R.1
-
31
-
-
33847212842
-
Current and future trends in the application of HPLC-MS to metabolite-identification studies
-
J.M. Castro-Perez Current and future trends in the application of HPLC-MS to metabolite-identification studies Drug Discov. Today 12 2007 249 256
-
(2007)
Drug Discov. Today
, vol.12
, pp. 249-256
-
-
Castro-Perez, J.M.1
-
32
-
-
79951899664
-
In silico site of metabolism prediction of cytochrome P450-mediated biotransformations
-
A. Tarcsay, and G.M. Keseru In silico site of metabolism prediction of cytochrome P450-mediated biotransformations Expert Opin. Drug Metab. Toxicol. 7 2011 299 312
-
(2011)
Expert Opin. Drug Metab. Toxicol.
, vol.7
, pp. 299-312
-
-
Tarcsay, A.1
Keseru, G.M.2
-
33
-
-
33344479495
-
Computational prediction of human drug metabolism
-
S. Ekins Computational prediction of human drug metabolism Expert Opin. Drug Metab. Toxicol. 1 2005 303 324
-
(2005)
Expert Opin. Drug Metab. Toxicol.
, vol.1
, pp. 303-324
-
-
Ekins, S.1
-
34
-
-
78649579536
-
The in silico prediction of human-specific metabolites from hepatotoxic drugs
-
L.G. Valerio Jr., and A. Long The in silico prediction of human-specific metabolites from hepatotoxic drugs Curr. Drug Discov. Technol. 7 2010 170 187
-
(2010)
Curr. Drug Discov. Technol.
, vol.7
, pp. 170-187
-
-
Valerio, Jr.L.G.1
Long, A.2
-
35
-
-
23044488827
-
Predicting drug metabolism-an evaluation of the expert system METEOR
-
B. Testa Predicting drug metabolism-an evaluation of the expert system METEOR Chem. Biodivers. 2 2005 872 885
-
(2005)
Chem. Biodivers.
, vol.2
, pp. 872-885
-
-
Testa, B.1
-
36
-
-
80054767651
-
Evaluation of three state-of-the-art metabolite prediction software packages (Meteor, MetaSite, and StarDrop) through independent and synergistic use
-
H. T'Jollyn Evaluation of three state-of-the-art metabolite prediction software packages (Meteor, MetaSite, and StarDrop) through independent and synergistic use Drug Metab. Dispos. 39 2011 2066 2075
-
(2011)
Drug Metab. Dispos.
, vol.39
, pp. 2066-2075
-
-
T'Jollyn, H.1
-
37
-
-
0036937632
-
New methods in predictive metabolism
-
S. Boyer, and I. Zamora New methods in predictive metabolism Mol. Divers. 5 2002 277 287
-
(2002)
Mol. Divers.
, vol.5
, pp. 277-287
-
-
Boyer, S.1
Zamora, I.2
-
38
-
-
27444434892
-
MetaSite: Understanding metabolism in human cytochromes from the perspective of the chemist
-
G. Cruciani MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist J. Med. Chem. 48 2005 6970 6979
-
(2005)
J. Med. Chem.
, vol.48
, pp. 6970-6979
-
-
Cruciani, G.1
-
39
-
-
0038440502
-
Predicting drug metabolism: A site of metabolism prediction tool applied to the cytochrome P450 2C9
-
I. Zamora Predicting drug metabolism: a site of metabolism prediction tool applied to the cytochrome P450 2C9 J. Med. Chem. 46 2003 2313 2324
-
(2003)
J. Med. Chem.
, vol.46
, pp. 2313-2324
-
-
Zamora, I.1
-
40
-
-
33646764551
-
Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions
-
D. Zhou Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions Drug Metab. Dispos. 34 2006 976 983
-
(2006)
Drug Metab. Dispos.
, vol.34
, pp. 976-983
-
-
Zhou, D.1
-
41
-
-
33847099636
-
Predicting the oxidative metabolism of statins: An application of the MetaSite algorithm
-
G. Caron Predicting the oxidative metabolism of statins: an application of the MetaSite algorithm Pharm. Res. 24 2007 480 501
-
(2007)
Pharm. Res.
, vol.24
, pp. 480-501
-
-
Caron, G.1
-
42
-
-
77953929952
-
The challenges of in silico contributions to drug metabolism in lead optimization
-
R.J. Vaz The challenges of in silico contributions to drug metabolism in lead optimization Expert Opin. Drug Metab. Toxicol. 6 2010 851 861
-
(2010)
Expert Opin. Drug Metab. Toxicol.
, vol.6
, pp. 851-861
-
-
Vaz, R.J.1
-
43
-
-
60549107218
-
In silico methods for predicting metabolism and mass fragmentation applied to quetiapine in liquid chromatography/time-of-flight mass spectrometry urine drug screening
-
A. Pelander In silico methods for predicting metabolism and mass fragmentation applied to quetiapine in liquid chromatography/time-of-flight mass spectrometry urine drug screening Rapid Commun. Mass Spectrom. 23 2009 506 514
-
(2009)
Rapid Commun. Mass Spectrom.
, vol.23
, pp. 506-514
-
-
Pelander, A.1
-
44
-
-
77954763084
-
Identification of rat urinary metabolites of rifabutin using LC-MSn and LC-HR-MS
-
B. Prasad, and S. Singh Identification of rat urinary metabolites of rifabutin using LC-MSn and LC-HR-MS Eur. J. Pharm. Sci. 41 2010 173 188
-
(2010)
Eur. J. Pharm. Sci.
, vol.41
, pp. 173-188
-
-
Prasad, B.1
Singh, S.2
-
45
-
-
40949091497
-
Combined computational metabolite prediction and automated structure-based analysis of mass spectrometric data
-
D.D. Stranz Combined computational metabolite prediction and automated structure-based analysis of mass spectrometric data Toxicol. Mech. Methods 18 2008 243 250
-
(2008)
Toxicol. Mech. Methods
, vol.18
, pp. 243-250
-
-
Stranz, D.D.1
-
46
-
-
60349093978
-
IsoScore: Automated localization of biotransformations by mass spectrometry using product ion scoring of virtual regioisomers
-
L. Leclercq IsoScore: automated localization of biotransformations by mass spectrometry using product ion scoring of virtual regioisomers Rapid Commun. Mass Spectrom. 23 2009 39 50
-
(2009)
Rapid Commun. Mass Spectrom.
, vol.23
, pp. 39-50
-
-
Leclercq, L.1
-
47
-
-
41549139685
-
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
-
P.R. Tiller 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 Rapid Commun. Mass Spectrom. 22 2008 1053 1061
-
(2008)
Rapid Commun. Mass Spectrom.
, vol.22
, pp. 1053-1061
-
-
Tiller, P.R.1
-
48
-
-
78650758565
-
LC-SPE-NMR-MS: A total analysis system for bioanalysis
-
G. Schlotterbeck, and S.M. Ceccarelli LC-SPE-NMR-MS: a total analysis system for bioanalysis Bioanalysis 1 2009 549 559
-
(2009)
Bioanalysis
, vol.1
, pp. 549-559
-
-
Schlotterbeck, G.1
Ceccarelli, S.M.2
|