200
Views
0
CrossRef citations to date
0
Altmetric
Research Article

An Accelerated Background Subtraction Algorithm for Processing High-Resolution MS Data and its Application to Metabolite Identification

, , , , &
Pages 1693-1707 | Received 09 May 2016, Accepted 28 Jun 2016, Published online: 27 Jul 2016

References

  • Zhang Z , MitraK. Application of accurate mass spectrometry for metabolite identification. In : ADME-Enabling Technologies In Drug Design and Development. ZhangD, SurapaneniS ( Eds). John Wiley & Sons, Inc., Hoboken, NJ, USA, 317–330 (2012).
  • Zhu M , ZhangH, HumphreysWG. Drug metabolite profiling and identification by high-resolution mass spectrometry. J. Biol. Chem. 286 (29), 25419–25425 (2011).
  • Guengerich FP , IsinEM. Unusual metabolic reactions and pathways. In : Handbook of Metabolic Pathways of Xenobiotics. LeeP, AizawaH, GanL, PrakashC, ZhongD ( Eds). John Wiley & Sons, Inc., Hoboken, NJ, USA, 147–191 (2014).
  • Guengerich FP . Common and uncommon cytochrome P450 reactions related to metabolism and chemical toxicity. Chem. Res. Toxicol. 14 (6), 611–650 (2001).
  • Bolleddula J , ChowdhurySK. Carbon-carbon bond cleavage and formation reactions in drug metabolism and the role of metabolic enzymes. Drug Metab. Rev. 47 (4), 534–557 (2015).
  • Zhang H , YangY. An algorithm for thorough background subtraction from high-resolution LC/MS data: application for detection of glutathione-trapped reactive metabolites. J. Mass Spectrom. 43 (9), 1181–1190 (2008).
  • Zhang H , MaL, HeK, ZhuM. An algorithm for thorough background subtraction from high-resolution LC/MS data: application to the detection of troglitazone metabolites in rat plasma, bile, and urine. J. Mass Spectrom. 43 (9), 1191–1200 (2008).
  • Zhu P , DingW, TongW, GhosalA, AltonK, ChowdhuryS. A retention-time-shift-tolerant background subtraction and noise reduction algorithm (BgS-NoRA) for extraction of drug metabolites in liquid chromatography/mass spectrometry data from biological matrices. Rapid Commun. Mass Spectrom. 23 (11), 1563–1572 (2009).
  • Hussong R , GregoriusB, TholeyA, HildebrandtA. Highly accelerated feature detection in proteomics data sets using modern graphics processing units. Bioinformatics25 (15), 1937–1943 (2009).
  • Baumgardner LA , ShanmugamAK, LamH, EngJK, MartinDB. Fast parallel tandem mass spectral library searching using GPU hardware acceleration. J. Proteome Res. 10 (6), 2882–2888 (2011).
  • Carr P . GPU accelerated multimodal background subtraction. In : Proceedings of the 2008 Digital Image Computing: Techniques and Applications. IEEE, 279–286 (2008).
  • Sturm M , BertschA, GröplCet al. OpenMS – an open-source software framework for mass spectrometry. BMC Bioinformatics9, 163 (2008).
  • Weisser H , NahnsenS, GrossmannJet al. An automated pipeline for high-throughput label-free quantitative proteomics. J. Proteome Res. 12 (4), 1628–1644 (2013).
  • Chang M , SoodVK, WilsonGJet al. Metabolism of the human immunodeficiency virus type 1 reverse transcriptase inhibitor delavirdine in rats. Drug Metab. Dispos. 25 (2), 228–242 (1997).
  • Chang M , SoodVK, KloostermanDAet al. Identification of the metabolites of the HIV-1 reverse transcriptase inhibitor delavirdine in monkeys. Drug Metab. Dispos. 25 (7), 814–827 (1997).
  • Voorman RL , MaioSM, HauerMJ, SandersPE, PayneNA, AcklandMJ. Metabolism of delavirdine, a human immunodeficiency virus type-1 reverse transcriptase inhibitor, by microsomal cytochrome P450 in humans, rats, and other species: probable involvement of CYP2D6 and CYP3A. Drug Metab. Dispos. 6 (7), 631–639 (1998).
  • Argikar UA , GomezJ, UngD, ParkmanHP, NagarS. Identification of novel metoclopramide metabolites in humans: in vitro and in vivo studies. Drug Metab. Dispos. 38 (8), 1295–1307 (2010).
  • Jones RD , BlantonCDJr, BowenJM. Identification of metoclopramide metabolites in the urine of cattle by gas chromatography-mass spectrometry and high-performance liquid chromatography-photodiode array detection. Vet. Res. Commun. 17 (5), 387–396 (1993).
  • Teng L , BruceRB, DunningLK. Metoclopramide metabolism and determination by high-pressure liquid chromatography. J. Pharm. Sci. 66 (11), 1615–1618 (1977).
  • Dueweke TJ , PoppeSM, RomeroDLet al. U-90152, a potent inhibitor of human immunodeficiency virus type 1 replication. Antimicrob. Agents Chemother. 37 (5), 1127–1131 (1993).
  • Romero DL , MorgeRA, GeninMJet al. Bis(heteroaryl)piperazine (BHAP) reverse transcriptase inhibitors: structure–activity relationships of novel substituted indole analogs and the identification of 1-[(5-methanesulfonamido-1H-indol-2-yl)carbonyl]-4-[3-[(1-methylethyl)amino]pyridinyl]piperazinemonomethanesulfonate (U-90152S), a second-generation clinical candidate. J. Med. Chem. 36 (10), 1505–1508 (1993).
  • DiPalma JR . Metoclopramide: a dopamine receptor antagonist. Am. Fam. Physician41 (3), 919–924 (1990).
  • Scott LJ , PerryCM. Delavirdine: a review of its use in HIV infection. Drugs60 (6), 1411–1444 (2000).

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.