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.
181 related articles for article (PubMed ID: 15579109)
1. In silico methods for predicting ligand binding determinants of cytochromes P450. de Groot MJ; Kirton SB; Sutcliffe MJ Curr Top Med Chem; 2004; 4(16):1803-24. PubMed ID: 15579109 [TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. 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]
5. Substrate selectivity of drug-metabolizing cytochrome P450s predicted from crystal structures and in silico modeling. Dong D; Wu B; Chow D; Hu M Drug Metab Rev; 2012 May; 44(2):192-208. PubMed ID: 22251142 [TBL] [Abstract][Full Text] [Related]
6. Pharmacophore modeling of cytochromes P450. de Groot MJ; Ekins S Adv Drug Deliv Rev; 2002 Mar; 54(3):367-83. PubMed ID: 11922953 [TBL] [Abstract][Full Text] [Related]
7. Human P450s involved in drug metabolism and the use of structural modelling for understanding substrate selectivity and binding affinity. Lewis DF; Ito Y Xenobiotica; 2009 Aug; 39(8):625-35. PubMed ID: 19514836 [TBL] [Abstract][Full Text] [Related]
8. Combined three-dimensional quantitative structure-activity relationship analysis of cytochrome P450 2B6 substrates and protein homology modeling. Wang Q; Halpert JR Drug Metab Dispos; 2002 Jan; 30(1):86-95. PubMed ID: 11744616 [TBL] [Abstract][Full Text] [Related]
9. Predicting the cytochrome P450 mediated metabolism of xenobiotics. Korzekwa KR; Jones JP Pharmacogenetics; 1993 Feb; 3(1):1-18. PubMed ID: 8485584 [TBL] [Abstract][Full Text] [Related]
10. 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]
12. In silico prediction of cytochrome P450-mediated site of metabolism (SOM). Liu X; Shen Q; Li J; Li S; Luo C; Zhu W; Luo X; Zheng M; Jiang H Protein Pept Lett; 2013 Mar; 20(3):279-89. PubMed ID: 22591483 [TBL] [Abstract][Full Text] [Related]
13. 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]
14. Computational prediction of drug binding and rationalisation of selectivity towards cytochromes P450. Stjernschantz E; Vermeulen NP; Oostenbrink C Expert Opin Drug Metab Toxicol; 2008 May; 4(5):513-27. PubMed ID: 18484912 [TBL] [Abstract][Full Text] [Related]
15. 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]
16. Towards Predicting the Cytochrome P450 Modulation: From QSAR to Proteochemometric Modeling. Shoombuatong W; Prathipati P; Prachayasittikul V; Schaduangrat N; Malik AA; Pratiwi R; Wanwimolruk S; Wikberg JES; Gleeson MP; Spjuth O; Nantasenamat C Curr Drug Metab; 2017 Jul; 18(6):540-555. PubMed ID: 28322159 [TBL] [Abstract][Full Text] [Related]
17. 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]
18. In silico predictive metabolism: a structural/electronic filter method. Harris DL Curr Opin Drug Discov Devel; 2004 Jan; 7(1):43-8. PubMed ID: 14982147 [TBL] [Abstract][Full Text] [Related]
19. The human hepatic cytochromes P450 involved in drug metabolism. Wrighton SA; Stevens JC Crit Rev Toxicol; 1992; 22(1):1-21. PubMed ID: 1616599 [TBL] [Abstract][Full Text] [Related]
20. Toward reduction in animal sacrifice for drugs: molecular modeling of Macaca fascicularis P450 2C20 for virtual screening of Homo sapiens P450 2C8 substrates. Rua F; Di Nardo G; Sadeghi SJ; Gilardi G Biotechnol Appl Biochem; 2012; 59(6):479-89. PubMed ID: 23586958 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]