These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
2. Use of density functional theory in drug metabolism studies. Rydberg P; Jørgensen FS; Olsen L Expert Opin Drug Metab Toxicol; 2014 Feb; 10(2):215-27. PubMed ID: 24295134 [TBL] [Abstract][Full Text] [Related]
3. Modelling cytochromes P450 binding modes to predict P450 inhibition, metabolic stability and isoform selectivity. Carosati E Drug Discov Today Technol; 2013; 10(1):e167-75. PubMed ID: 24050246 [TBL] [Abstract][Full Text] [Related]
4. In silico site of metabolism prediction of cytochrome P450-mediated biotransformations. Tarcsay Á; Keseru GM Expert Opin Drug Metab Toxicol; 2011 Mar; 7(3):299-312. PubMed ID: 21291341 [TBL] [Abstract][Full Text] [Related]
5. Computational methods and tools to predict cytochrome P450 metabolism for drug discovery. Tyzack JD; Kirchmair J Chem Biol Drug Des; 2019 Apr; 93(4):377-386. PubMed ID: 30471192 [TBL] [Abstract][Full Text] [Related]
6. Prediction of cytochrome P450 xenobiotic metabolism: tethered docking and reactivity derived from ligand molecular orbital analysis. Tyzack JD; Williamson MJ; Torella R; Glen RC J Chem Inf Model; 2013 Jun; 53(6):1294-305. PubMed ID: 23701380 [TBL] [Abstract][Full Text] [Related]
7. Structural insights into understudied human cytochrome P450 enzymes. Machalz D; Pach S; Bermudez M; Bureik M; Wolber G Drug Discov Today; 2021 Oct; 26(10):2456-2464. PubMed ID: 34161845 [TBL] [Abstract][Full Text] [Related]
8. 2D SMARTCyp reactivity-based site of metabolism prediction for major drug-metabolizing cytochrome P450 enzymes. Liu R; Liu J; Tawa G; Wallqvist A J Chem Inf Model; 2012 Jun; 52(6):1698-712. PubMed ID: 22631565 [TBL] [Abstract][Full Text] [Related]
9. 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]
10. Human cytochromes P450 in the metabolism of drugs: new molecular models of enzyme-substrate interactions. Lewis DF; Ito Y Expert Opin Drug Metab Toxicol; 2008 Sep; 4(9):1181-6. PubMed ID: 18721112 [TBL] [Abstract][Full Text] [Related]
11. Improved Prediction of Michaelis Constants in CYP450-Mediated Reactions by Resilient Back Propagation Algorithm. Dai H; Xu Q; Xiong Y; Liu WL; Wei DQ Curr Drug Metab; 2016; 17(7):673-80. PubMed ID: 27174458 [TBL] [Abstract][Full Text] [Related]
12. Compound lipophilicity for substrate binding to human P450s in drug metabolism. Lewis DF; Jacobs MN; Dickins M Drug Discov Today; 2004 Jun; 9(12):530-7. PubMed ID: 15183161 [TBL] [Abstract][Full Text] [Related]
13. Human CYPs involved in drug metabolism: structures, substrates and binding affinities. Lewis DF; Ito Y Expert Opin Drug Metab Toxicol; 2010 Jun; 6(6):661-74. PubMed ID: 20402561 [TBL] [Abstract][Full Text] [Related]
14. PreMetabo: An in silico phase I and II drug metabolism prediction platform. Hwang S; Shin HK; Shin SE; Seo M; Jeon HN; Yim DE; Kim DH; No KT Drug Metab Pharmacokinet; 2020 Aug; 35(4):361-367. PubMed ID: 32616370 [TBL] [Abstract][Full Text] [Related]
15. Involvement of enzymes other than CYPs in the oxidative metabolism of xenobiotics. Strolin Benedetti M; Whomsley R; Baltes E Expert Opin Drug Metab Toxicol; 2006 Dec; 2(6):895-921. PubMed ID: 17125408 [TBL] [Abstract][Full Text] [Related]
16. 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]
17. 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]
18. Substrate selectivity of drug-metabolizing cytochrome P450s predicted from crystal structures and in silico modeling. Dong D; Wu B Drug Metab Rev; 2012 Feb; 44(1):1-17. PubMed ID: 22242930 [TBL] [Abstract][Full Text] [Related]
19. Drug metabolism in microorganisms. Murphy CD Biotechnol Lett; 2015 Jan; 37(1):19-28. PubMed ID: 25179825 [TBL] [Abstract][Full Text] [Related]
20. Recombinant human cytochrome P450 monooxygenases for drug metabolite synthesis. Schroer K; Kittelmann M; Lütz S Biotechnol Bioeng; 2010 Aug; 106(5):699-706. PubMed ID: 20506361 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]