KFU. Card publication. Spatial structure of atorvastatin and its complex with model membrane in solution studied by NMR and theoretical calculations

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SPATIAL STRUCTURE OF ATORVASTATIN AND ITS COMPLEX WITH MODEL MEMBRANE IN SOLUTION STUDIED BY NMR AND THEORETICAL CALCULATIONS

Form of presentation

Articles in international journals and collections

Year of publication

2018

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Authors, employees of KFU

Galiullina Leysan Faritovna, author

Klochkov Vladimir Vasilevich, author

Latfullin Ildus Anvarovich, author

Authors, postgraduates KFU

Musabirova Guzel Salavatovna, postgraduate kfu

Bibliographic description in the original language

L.F. Galiullina, G.S. Musabirova, I.A. Latfullin, A.V. Aganov, V.V. Klochkov. Spatial structure of atorvastatin and its complex with model membrane in solution studied by NMR and theoretical calculations // Journal of Molecular Structure, V. 1167, 2018.-P.69-77.

Annotation

Atorvastatin is a drug of the statin group which possesses the ability to decrease low-density lipoprotein cholesterol level by the competitive inhibition of 3-hydroxy-3-methylglutaryl coenzyme A reductase. There is a hypothesis that pharmacological properties of statins depend on their location in the cell membrane. Intermolecular complex of atorvastatin with dodecylphosphocholine (DPC) micelle was investigated by NMR and computational methods. The results of NMR experiments showed that atorvastatin forms molecular complex with model membrane in solution by penetrating a space between hydrocarbon chains of the DPC micelle. Analysis of obtained data in comparison with previously reported results for simvastatin, pravastatin, fluvastatin and cerivastatin showed that locations of statins in model membranes correlate with their pharmacological features, such as efficacy and risk of rhabdomyolysis.

Keywords

Atorvastatin, Statins, NMR, Nuclear overhauser effect, Dodecylphosphocholine micelles, Molecular complex

The name of the journal

JOURNAL OF MOLECULAR STRUCTURE

URL

http://www.elsevier.com/locate/molstruc

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=186720&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Galiullina Leysan Faritovna	ru_RU
dc.contributor.author	Klochkov Vladimir Vasilevich	ru_RU
dc.contributor.author	Latfullin Ildus Anvarovich	ru_RU
dc.contributor.author	Musabirova Guzel Salavatovna	ru_RU
dc.date.accessioned	2018-01-01T00:00:00Z	ru_RU
dc.date.available	2018-01-01T00:00:00Z	ru_RU
dc.date.issued	2018	ru_RU
dc.identifier.citation	L.F. Galiullina, G.S. Musabirova, I.A. Latfullin, A.V. Aganov, V.V. Klochkov. Spatial structure of atorvastatin and its complex with model membrane in solution studied by NMR and theoretical calculations // Journal of Molecular Structure, V. 1167, 2018.-P.69-77.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=186720&p_lang=2	ru_RU
dc.description.abstract	JOURNAL OF MOLECULAR STRUCTURE	ru_RU
dc.description.abstract	Atorvastatin is a drug of the statin group which possesses the ability to decrease low-density lipoprotein cholesterol level by the competitive inhibition of 3-hydroxy-3-methylglutaryl coenzyme A reductase. There is a hypothesis that pharmacological properties of statins depend on their location in the cell membrane. Intermolecular complex of atorvastatin with dodecylphosphocholine (DPC) micelle was investigated by NMR and computational methods. The results of NMR experiments showed that atorvastatin forms molecular complex with model membrane in solution by penetrating a space between hydrocarbon chains of the DPC micelle. Analysis of obtained data in comparison with previously reported results for simvastatin, pravastatin, fluvastatin and cerivastatin showed that locations of statins in model membranes correlate with their pharmacological features, such as efficacy and risk of rhabdomyolysis.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Atorvastatin	ru_RU
dc.subject	Statins	ru_RU
dc.subject	NMR	ru_RU
dc.subject	Nuclear overhauser effect	ru_RU
dc.subject	Dodecylphosphocholine micelles	ru_RU
dc.subject	Molecular complex	ru_RU
dc.title	Spatial structure of atorvastatin and its complex with model membrane in solution studied by NMR and theoretical calculations	ru_RU
dc.type	Articles in international journals and collections	ru_RU