119 related articles for article (PubMed ID: 25697821)
1. Extending P450 site-of-metabolism models with region-resolution data.
Zaretzki JM; Browning MR; Hughes TB; Swamidass SJ
Bioinformatics; 2015 Jun; 31(12):1966-73. PubMed ID: 25697821
[TBL] [Abstract][Full Text] [Related]
2. XenoSite server: a web-available site of metabolism prediction tool.
Matlock MK; Hughes TB; Swamidass SJ
Bioinformatics; 2015 Apr; 31(7):1136-7. PubMed ID: 25411327
[TBL] [Abstract][Full Text] [Related]
3. XenoSite: accurately predicting CYP-mediated sites of metabolism with neural networks.
Zaretzki J; Matlock M; Swamidass SJ
J Chem Inf Model; 2013 Dec; 53(12):3373-83. PubMed ID: 24224933
[TBL] [Abstract][Full Text] [Related]
4. SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds.
Rudik A; Dmitriev A; Lagunin A; Filimonov D; Poroikov V
Bioinformatics; 2015 Jun; 31(12):2046-8. PubMed ID: 25777527
[TBL] [Abstract][Full Text] [Related]
5. Improved Prediction of CYP-Mediated Metabolism with Chemical Fingerprints.
Zaretzki J; Boehm KM; Swamidass SJ
J Chem Inf Model; 2015 May; 55(5):972-82. PubMed ID: 25871613
[TBL] [Abstract][Full Text] [Related]
6. Alignment-Based Prediction of Sites of Metabolism.
de Bruyn Kops C; Friedrich NO; Kirchmair J
J Chem Inf Model; 2017 Jun; 57(6):1258-1264. PubMed ID: 28520411
[TBL] [Abstract][Full Text] [Related]
7. Metabolism site prediction based on xenobiotic structural formulas and PASS prediction algorithm.
Rudik AV; Dmitriev AV; Lagunin AA; Filimonov DA; Poroikov VV
J Chem Inf Model; 2014 Feb; 54(2):498-507. PubMed ID: 24417355
[TBL] [Abstract][Full Text] [Related]
8. A simple model predicts UGT-mediated metabolism.
Dang NL; Hughes TB; Krishnamurthy V; Swamidass SJ
Bioinformatics; 2016 Oct; 32(20):3183-3189. PubMed ID: 27324196
[TBL] [Abstract][Full Text] [Related]
9. Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms.
Kirchmair J; Williamson MJ; Tyzack JD; Tan L; Bond PJ; Bender A; Glen RC
J Chem Inf Model; 2012 Mar; 52(3):617-48. PubMed ID: 22339582
[TBL] [Abstract][Full Text] [Related]
10. Designing better drugs: predicting cytochrome P450 metabolism.
de Groot MJ
Drug Discov Today; 2006 Jul; 11(13-14):601-6. PubMed ID: 16793528
[TBL] [Abstract][Full Text] [Related]
11. P450 structures and oxidative metabolism of xenobiotics.
Lewis DF
Pharmacogenomics; 2003 Jul; 4(4):387-95. PubMed ID: 12831319
[TBL] [Abstract][Full Text] [Related]
12. Computational identification and binding analysis of orphan human cytochrome P450 4X1 enzyme with substrates.
Kumar S
BMC Res Notes; 2015 Jan; 8():9. PubMed ID: 25595103
[TBL] [Abstract][Full Text] [Related]
13. Identification of Tazarotenic Acid as the First Xenobiotic Substrate of Human Retinoic Acid Hydroxylase CYP26A1 and CYP26B1.
Foti RS; Isoherranen N; Zelter A; Dickmann LJ; Buttrick BR; Diaz P; Douguet D
J Pharmacol Exp Ther; 2016 May; 357(2):281-92. PubMed ID: 26937021
[TBL] [Abstract][Full Text] [Related]
14. Modeling of human cytochrome p450-mediated drug metabolism using unsupervised machine learning approach.
Korolev D; Balakin KV; Nikolsky Y; Kirillov E; Ivanenkov YA; Savchuk NP; Ivashchenko AA; Nikolskaya T
J Med Chem; 2003 Aug; 46(17):3631-43. PubMed ID: 12904067
[TBL] [Abstract][Full Text] [Related]
15. A three-dimensional protein model for human cytochrome P450 2D6 based on the crystal structures of P450 101, P450 102, and P450 108.
de Groot MJ; Vermeulen NP; Kramer JD; van Acker FA; Donné-Op den Kelder GM
Chem Res Toxicol; 1996; 9(7):1079-91. PubMed ID: 8902262
[TBL] [Abstract][Full Text] [Related]
16. Mechanism-based inactivation of human cytochromes p450s: experimental characterization, reactive intermediates, and clinical implications.
Hollenberg PF; Kent UM; Bumpus NN
Chem Res Toxicol; 2008 Jan; 21(1):189-205. PubMed ID: 18052110
[TBL] [Abstract][Full Text] [Related]
17. FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity.
Šícho M; de Bruyn Kops C; Stork C; Svozil D; Kirchmair J
J Chem Inf Model; 2017 Aug; 57(8):1832-1846. PubMed ID: 28782945
[TBL] [Abstract][Full Text] [Related]
18. A pragmatic approach using first-principle methods to address site of metabolism with implications for reactive metabolite formation.
Hsiao YW; Petersson C; Svensson MA; Norinder U
J Chem Inf Model; 2012 Mar; 52(3):686-95. PubMed ID: 22299574
[TBL] [Abstract][Full Text] [Related]
19. Structural diversity of human xenobiotic-metabolizing cytochrome P450 monooxygenases.
Johnson EF; Stout CD
Biochem Biophys Res Commun; 2005 Dec; 338(1):331-6. PubMed ID: 16157296
[TBL] [Abstract][Full Text] [Related]
20. Toward Computational Understanding of Molecular Recognition in the Human Metabolizing Cytochrome P450s.
Kontoyianni M; Lacy B
Curr Med Chem; 2018; 25(28):3353-3373. PubMed ID: 29484977
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
