About: Membrane position of ibuprofen agrees with suggested access path entrance to cytochrome P450 2C9 active site     Goto   Sponge   NotDistinct   Permalink

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Description
  • Cytochrome P450 2C9 (CYP2C9) is a membrane-anchored human microsomal protein involved in the drug metabolism in liver. CYP2C9 consists of an N-terminal transmembrane anchor and a catalytic cytoplasmic domain. While the structure of the catalytic domain is well-known from X-ray experiments, the complete structure and its incorporation into the membrane remains unsolved. We constructed an atomistic model of complete CYP2C9 in a dioleoylphosphatidylcholine membrane and evolved it by molecular dynamics simulations in explicit water on a 100+ ns time-scale.
  • Cytochrome P450 2C9 (CYP2C9) is a membrane-anchored human microsomal protein involved in the drug metabolism in liver. CYP2C9 consists of an N-terminal transmembrane anchor and a catalytic cytoplasmic domain. While the structure of the catalytic domain is well-known from X-ray experiments, the complete structure and its incorporation into the membrane remains unsolved. We constructed an atomistic model of complete CYP2C9 in a dioleoylphosphatidylcholine membrane and evolved it by molecular dynamics simulations in explicit water on a 100+ ns time-scale. (en)
Title
  • Membrane position of ibuprofen agrees with suggested access path entrance to cytochrome P450 2C9 active site
  • Membrane position of ibuprofen agrees with suggested access path entrance to cytochrome P450 2C9 active site (en)
skos:prefLabel
  • Membrane position of ibuprofen agrees with suggested access path entrance to cytochrome P450 2C9 active site
  • Membrane position of ibuprofen agrees with suggested access path entrance to cytochrome P450 2C9 active site (en)
skos:notation
  • RIV/61989592:15310/11:33116405!RIV12-MSM-15310___
http://linked.open...avai/predkladatel
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(ED0030/01/01), P(ED2.1.00/03.0058), P(EE2.3.20.0017), P(GA303/09/1001), P(GD203/09/H046), S
http://linked.open...iv/cisloPeriodika
  • 44
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  • 211423
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  • RIV/61989592:15310/11:33116405
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  • cytochrome P450 (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [96C15297BA3A]
http://linked.open...i/riv/nazevZdroje
  • Journal of Physical Chemistry A
http://linked.open...in/vavai/riv/obor
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http://linked.open...v/svazekPeriodika
  • 115
http://linked.open...iv/tvurceVysledku
  • Otyepka, Michal
  • Anzenbacher, Pavel
  • Hendrychová, Tereza
  • Berka, Karel
http://linked.open...ain/vavai/riv/wos
  • 000295700600015
issn
  • 1089-5639
number of pages
http://bibframe.org/vocab/doi
  • 10.1021/jp204488j
http://localhost/t...ganizacniJednotka
  • 15310
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