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Items: 1 to 20 of 117

1.

Cytochrome P450 structure-function: insights from molecular dynamics simulations.

Nair PC, McKinnon RA, Miners JO.

Drug Metab Rev. 2016 Aug;48(3):434-52. doi: 10.1080/03602532.2016.1178771. Epub 2016 May 10. Review.

PMID:
27167388
2.

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. doi: 10.3109/03602532.2011.645581. Review.

PMID:
22242930
3.

Conformational diversity and ligand tunnels of mammalian cytochrome P450s.

Yu X, Cojocaru V, Wade RC.

Biotechnol Appl Biochem. 2013 Jan-Feb;60(1):134-45. doi: 10.1002/bab.1074. Review.

PMID:
23587001
4.

Structure and function of cytochromes P450 2B: from mechanism-based inactivators to X-ray crystal structures and back.

Halpert JR.

Drug Metab Dispos. 2011 Jul;39(7):1113-21. doi: 10.1124/dmd.111.039719. Epub 2011 Apr 18.

5.

Crystal Structure of Cytochrome P450 (CYP105P2) from Streptomyces peucetius and Its Conformational Changes in Response to Substrate Binding.

Lee CW, Lee JH, Rimal H, Park H, Lee JH, Oh TJ.

Int J Mol Sci. 2016 May 25;17(6). pii: E813. doi: 10.3390/ijms17060813.

6.

Identifying cytochrome p450 functional networks and their allosteric regulatory elements.

Liu J, Tawa GJ, Wallqvist A.

PLoS One. 2013 Dec 3;8(12):e81980. doi: 10.1371/journal.pone.0081980. eCollection 2013.

7.

Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium.

Jóźwik IK, Kiss FM, Gricman Ł, Abdulmughni A, Brill E, Zapp J, Pleiss J, Bernhardt R, Thunnissen AW.

FEBS J. 2016 Nov;283(22):4128-4148. doi: 10.1111/febs.13911. Epub 2016 Oct 17.

8.

Analysis of cytochrome P450 CYP119 ligand-dependent conformational dynamics by two-dimensional NMR and X-ray crystallography.

Basudhar D, Madrona Y, Kandel S, Lampe JN, Nishida CR, de Montellano PR.

J Biol Chem. 2015 Apr 17;290(16):10000-17. doi: 10.1074/jbc.M114.627935. Epub 2015 Feb 10.

9.

Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.

Capoferri L, Leth R, ter Haar E, Mohanty AK, Grootenhuis PD, Vottero E, Commandeur JN, Vermeulen NP, Jørgensen FS, Olsen L, Geerke DP.

Proteins. 2016 Mar;84(3):383-96. doi: 10.1002/prot.24985. Epub 2016 Feb 3.

PMID:
26757175
10.

Molecular modeling of human cytochrome P450-substrate interactions.

Lewis DF.

Drug Metab Rev. 2002 Feb-May;34(1-2):55-67. Review.

PMID:
11996012
11.

Structural features of cytochromes P450 and ligands that affect drug metabolism as revealed by X-ray crystallography and NMR.

Gay SC, Roberts AG, Halpert JR.

Future Med Chem. 2010 Sep;2(9):1451-68. Review. Erratum in: Future Med Chem. 2010 Oct;2(10):1612.

12.

Ligand Access Channels in Cytochrome P450 Enzymes: A Review.

Urban P, Lautier T, Pompon D, Truan G.

Int J Mol Sci. 2018 May 30;19(6). pii: E1617. doi: 10.3390/ijms19061617. Review.

13.

"Allosterism" in the elementary steps of the cytochrome P450 reaction cycle.

Yoon MY, Campbell AP, Atkins WM.

Drug Metab Rev. 2004 May;36(2):219-30. Review.

PMID:
15237852
14.

Moonlighting cytochrome P450 monooxygenases.

Zhao B, Waterman MR.

IUBMB Life. 2011 Jul;63(7):473-7. doi: 10.1002/iub.501.

15.

Structural basis for ligand promiscuity in cytochrome P450 3A4.

Ekroos M, Sjögren T.

Proc Natl Acad Sci U S A. 2006 Sep 12;103(37):13682-7. Epub 2006 Sep 5.

16.

Molecular dynamics analysis reveals structural insights into mechanism of nicotine N-demethylation catalyzed by tobacco cytochrome P450 mono-oxygenase.

Wang S, Yang S, An B, Wang S, Yin Y, Lu Y, Xu Y, Hao D.

PLoS One. 2011;6(8):e23342. doi: 10.1371/journal.pone.0023342. Epub 2011 Aug 16.

17.

Analysis of Species-Selectivity of Human, Mouse and Rat Cytochrome P450 1A and 2B Subfamily Enzymes using Molecular Modeling, Docking and Dynamics Simulations.

Karthikeyan BS, Suvaithenamudhan S, Akbarsha MA, Parthasarathy S.

Cell Biochem Biophys. 2018 Jun;76(1-2):91-110. doi: 10.1007/s12013-017-0791-8. Epub 2017 Mar 29.

PMID:
28353142
18.

Molecular dynamics simulations of P450 BM3--examination of substrate-induced conformational change.

Chang YT, Loew GH.

J Biomol Struct Dyn. 1999 Jun;16(6):1189-203.

PMID:
10447203
19.

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 15;31(24):3930-7. doi: 10.1093/bioinformatics/btv486. Epub 2015 Aug 26.

PMID:
26315915
20.

Pharmacophore modeling of cytochromes P450.

de Groot MJ, Ekins S.

Adv Drug Deliv Rev. 2002 Mar 31;54(3):367-83. Review.

PMID:
11922953

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