207 related articles for article (PubMed ID: 25286176)
1. Molecular dynamics of CYP2D6 polymorphisms in the absence and presence of a mechanism-based inactivator reveals changes in local flexibility and dominant substrate access channels.
de Waal PW; Sunden KF; Furge LL
PLoS One; 2014; 9(10):e108607. PubMed ID: 25286176
[TBL] [Abstract][Full Text] [Related]
2. Substituted imidazole of 5-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl]pyrimidine Inactivates cytochrome P450 2D6 by protein adduction.
Nagy LD; Mocny CS; Diffenderfer LE; Hsi DJ; Butler BF; Arthur EJ; Fletke KJ; Palamanda JR; Nomeir AA; Furge LL
Drug Metab Dispos; 2011 Jun; 39(6):974-83. PubMed ID: 21422192
[TBL] [Abstract][Full Text] [Related]
3. Functional and structural characterisation of common cytochrome P450 2D6 allelic variants-roles of Pro34 and Thr107 in catalysis and inhibition.
Dong AN; Ahemad N; Pan Y; Palanisamy UD; Yiap BC; Ong CE
Naunyn Schmiedebergs Arch Pharmacol; 2019 Aug; 392(8):1015-1029. PubMed ID: 31025144
[TBL] [Abstract][Full Text] [Related]
4. Molecular Dynamics Simulations Reveal Structural Differences among Allelic Variants of Membrane-Anchored Cytochrome P450 2D6.
Fischer A; Don CG; Smieško M
J Chem Inf Model; 2018 Sep; 58(9):1962-1975. PubMed ID: 30126275
[TBL] [Abstract][Full Text] [Related]
5. CYP2D6 Allelic Variants *34, *17-2, *17-3, and *53 and a Thr309Ala Mutant Display Altered Kinetics and NADPH Coupling in Metabolism of Bufuralol and Dextromethorphan and Altered Susceptibility to Inactivation by SCH 66712.
Glass SM; Martell CM; Oswalt AK; Osorio-Vasquez V; Cho C; Hicks MJ; Mills JM; Fujiwara R; Glista MJ; Kamath SS; Furge LL
Drug Metab Dispos; 2018 Aug; 46(8):1106-1117. PubMed ID: 29784728
[TBL] [Abstract][Full Text] [Related]
6. Microsecond MD simulations of human CYP2D6 wild-type and five allelic variants reveal mechanistic insights on the function.
Don CG; Smieško M
PLoS One; 2018; 13(8):e0202534. PubMed ID: 30133539
[TBL] [Abstract][Full Text] [Related]
7. Flexibility of human cytochrome P450 enzymes: molecular dynamics and spectroscopy reveal important function-related variations.
Hendrychová T; Anzenbacherová E; Hudeček J; Skopalík J; Lange R; Hildebrandt P; Otyepka M; Anzenbacher P
Biochim Biophys Acta; 2011 Jan; 1814(1):58-68. PubMed ID: 20656072
[TBL] [Abstract][Full Text] [Related]
8. Role of P34S, G169R, R296C, and S486T Substitutions in Ligand Access and Catalysis for Cytochrome P450 2D6 Allelic Variants CYP2D6*14A and CYP2D6*14B.
Dong AN; Ahemad N; Pan Y; Palanisamy UD; Yiap BC; Ong CE
Drug Metab Bioanal Lett; 2022; 15(1):51-63. PubMed ID: 35049443
[TBL] [Abstract][Full Text] [Related]
9. Polymorphism of human cytochrome P450 2D6 and its clinical significance: Part I.
Zhou SF
Clin Pharmacokinet; 2009; 48(11):689-723. PubMed ID: 19817501
[TBL] [Abstract][Full Text] [Related]
10. Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism.
Unwalla RJ; Cross JB; Salaniwal S; Shilling AD; Leung L; Kao J; Humblet C
J Comput Aided Mol Des; 2010 Mar; 24(3):237-56. PubMed ID: 20361239
[TBL] [Abstract][Full Text] [Related]
11. Tryptophan-75 Is a Low-Energy Channel-Gating Residue that Facilitates Substrate Egress/Access in Cytochrome P450 2D6.
McCarty KD; Ratliff SA; Furge KA; Furge LL
Drug Metab Dispos; 2021 Mar; 49(3):179-187. PubMed ID: 33376147
[TBL] [Abstract][Full Text] [Related]
12. Molecular analysis and modeling of inactivation of human CYP2D6 by four mechanism based inactivators.
Livezey M; Nagy LD; Diffenderfer LE; Arthur EJ; Hsi DJ; Holton JM; Furge LL
Drug Metab Lett; 2012 Mar; 6(1):7-14. PubMed ID: 22372551
[TBL] [Abstract][Full Text] [Related]
13. Spontaneous Ligand Access Events to Membrane-Bound Cytochrome P450 2D6 Sampled at Atomic Resolution.
Fischer A; Smieško M
Sci Rep; 2019 Nov; 9(1):16411. PubMed ID: 31712722
[TBL] [Abstract][Full Text] [Related]
14. Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6.
Martiny VY; Carbonell P; Chevillard F; Moroy G; Nicot AB; Vayer P; Villoutreix BO; Miteva MA
Bioinformatics; 2015 Dec; 31(24):3930-7. PubMed ID: 26315915
[TBL] [Abstract][Full Text] [Related]
15. Analysis of CYP2D6 substrate interactions by computational methods.
Ito Y; Kondo H; Goldfarb PS; Lewis DF
J Mol Graph Model; 2008 Feb; 26(6):947-56. PubMed ID: 17764997
[TBL] [Abstract][Full Text] [Related]
16. New insights into the structural characteristics and functional relevance of the human cytochrome P450 2D6 enzyme.
Wang B; Yang LP; Zhang XZ; Huang SQ; Bartlam M; Zhou SF
Drug Metab Rev; 2009; 41(4):573-643. PubMed ID: 19645588
[TBL] [Abstract][Full Text] [Related]
17. Computational predictions of the site of metabolism of cytochrome P450 2D6 substrates: comparative analysis, molecular docking, bioactivation and toxicological implications.
Ford KA; Ryslik G; Sodhi J; Halladay J; Diaz D; Dambach D; Masuda M
Drug Metab Rev; 2015 Aug; 47(3):291-319. PubMed ID: 26024250
[TBL] [Abstract][Full Text] [Related]
18. Molecular modeling-guided site-directed mutagenesis of cytochrome P450 2D6.
de Graaf C; Oostenbrink C; Keizers PH; van Vugt-Lussenburg BM; van Waterschoot RA; Tschirret-Guth RA; Commandeur JN; Vermeulen NP
Curr Drug Metab; 2007 Jan; 8(1):59-77. PubMed ID: 17266524
[TBL] [Abstract][Full Text] [Related]
19. Pharmacophore, QSAR, and binding mode studies of substrates of human cytochrome P450 2D6 (CYP2D6) using molecular docking and virtual mutations and an application to chinese herbal medicine screening.
Mo SL; Liu WF; Li CG; Zhou ZW; Luo HB; Chew H; Liang J; Zhou SF
Curr Pharm Biotechnol; 2012 Jul; 13(9):1640-704. PubMed ID: 22039821
[TBL] [Abstract][Full Text] [Related]
20. Computational Analysis of Physicochemical Factors Driving CYP2D6 Ligand Interaction.
Olubiyi OO; Olagunju MO; Obisesan AO
Curr Comput Aided Drug Des; 2017; 13(1):39-47. PubMed ID: 27632988
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
