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Conformational State of Fenamates at the Membrane Interface: A MAS NOESY Study
被引:6
作者:

Khodov, Ilya A.
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Russian Acad Sci, GA Krestov Inst Solut Chem, Ivanovo 153045, Russia Russian Acad Sci, GA Krestov Inst Solut Chem, Ivanovo 153045, Russia

Belov, Konstantin V.
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Russian Acad Sci, GA Krestov Inst Solut Chem, Ivanovo 153045, Russia Russian Acad Sci, GA Krestov Inst Solut Chem, Ivanovo 153045, Russia

Huster, Daniel
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Univ Leipzig, Inst Med Phys & Biophys, D-04107 Leipzig, Germany Russian Acad Sci, GA Krestov Inst Solut Chem, Ivanovo 153045, Russia

Scheidt, Holger A.
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机构:
Univ Leipzig, Inst Med Phys & Biophys, D-04107 Leipzig, Germany Russian Acad Sci, GA Krestov Inst Solut Chem, Ivanovo 153045, Russia
机构:
[1] Russian Acad Sci, GA Krestov Inst Solut Chem, Ivanovo 153045, Russia
[2] Univ Leipzig, Inst Med Phys & Biophys, D-04107 Leipzig, Germany
来源:
基金:
俄罗斯科学基金会;
关键词:
fenamates;
structure;
POPC membrane;
bilayer interface;
NOESY MAS spectra;
conformational changes;
NONSTEROIDAL ANTIINFLAMMATORY DRUG;
TOLFENAMIC ACID;
BIOLOGICAL-MEMBRANES;
SPATIAL STRUCTURE;
CROSS-RELAXATION;
FLUFENAMIC ACID;
NMR;
POLYMORPHISM;
ACCURACY;
RECEPTOR;
D O I:
10.3390/membranes13060607
中图分类号:
Q5 [生物化学];
Q7 [分子生物学];
学科分类号:
071010 ;
081704 ;
摘要:
The present work analyzes the H-1 NOESY MAS NMR spectra of three fenamates (mefenamic, tolfenamic, and flufenamic acids) localized in the lipid-water interface of phosphatidyloleoylphosphatidylcholine (POPC) membranes. The observed cross-peaks in the two-dimensional NMR spectra characterized intramolecular proximities between the hydrogen atoms of the fenamates as well as intermolecular interactions between the fenamates and POPC molecules. The peak amplitude normalization for an improved cross-relaxation (PANIC) approach, the isolated spin-pair approximation (ISPA) model, and the two-position exchange model were used to calculate the interproton distances indicative of specific conformations of the fenamates. The results showed that the proportions of the A+C and B+D conformer groups of mefenamic and tolfenamic acids in the presence of POPC were comparable within the experimental error and amounted to 47.8%/52.2% and 47.7%/52.3%, respectively. In contrast, these proportions for the flufenamic acid conformers differed and amounted to 56.6%/43.4%. This allowed us to conclude that when they bind to the POPC model lipid membrane, fenamate molecules change their conformational equilibria.
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