KFU. Card publication. Interaction of Lovastatin with Model Membranes by NMR Data and from MD Simulations

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FEDERAL UNIVERSITY

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INTERACTION OF LOVASTATIN WITH MODEL MEMBRANES BY NMR DATA AND FROM MD SIMULATIONS

Form of presentation

Articles in international journals and collections

Year of publication

2020

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Authors, employees of KFU

Klochkov Vladimir Vasilevich, author

Musabirova Guzel Salavatovna, author

Yulmetov Aydar Rafailevich, author

Authors, postgraduates KFU

Musabirova Guzel Salavatovna, postgraduate kfu

Authors, students KFU

Sharapova Diana Aydarovna, author

Bibliographic description in the original language

Shurshalova G.S. Interaction of Lovastatin with Model Membranes by NMR Data and from MD Simulations / Shurshalova, G.S., Yulmetov, A.R., Sharapova, D.A., Aganov, A.V., Klochkov, V.V. // BioNanoScience, 2020, 10(2), str. 493-501

Annotation

Lovastatin 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 (HMG-CoA) reductase. There is a hypothesis that pharmacological features of statins depend on their location in cell membrane, but to the present day, there is a lack of information in literature on interactions of statins with the surface of the cell membrane in liquid media. Intermolecular complex of lovastatin with dodecylphosphocholine (DPC) and sodium dodecylsulfate (SDS) micelles was investigated by NMR and computational methods. The results of NMR experiments and molecular dynamics (MD) simulation data showed that lovastatin forms intermolecular complexes with models of cell membranes in water solution. Locations of lovastatin on model membranes were established by NOESY NMR data. Distinctions in their positions can explain differences in pharmacological properties of studied compound. ? 2020, Springer Science+Business Media, LLC, part of Springer Nature.

Keywords

Lovastatin, Micelles, Molecular complex, Molecular dynamics, Nuclear magnetic resonance, Nuclear Overhauser effect

The name of the journal

BioNanoScience

URL

https://link.springer.com/article/10.1007/s12668-020-00722-4

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

https://repository.kpfu.ru/eng/?p_id=242291&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Klochkov Vladimir Vasilevich	ru_RU
dc.contributor.author	Musabirova Guzel Salavatovna	ru_RU
dc.contributor.author	Yulmetov Aydar Rafailevich	ru_RU
dc.contributor.author	Sharapova Diana Aydarovna	ru_RU
dc.contributor.author	Musabirova Guzel Salavatovna	ru_RU
dc.date.accessioned	2020-01-01T00:00:00Z	ru_RU
dc.date.available	2020-01-01T00:00:00Z	ru_RU
dc.date.issued	2020	ru_RU
dc.identifier.citation	Shurshalova G.S. Interaction of Lovastatin with Model Membranes by NMR Data and from MD Simulations / Shurshalova, G.S., Yulmetov, A.R., Sharapova, D.A., Aganov, A.V., Klochkov, V.V. // BioNanoScience, 2020, 10(2), ��. 493-501	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=242291&p_lang=2	ru_RU
dc.description.abstract	BioNanoScience	ru_RU
dc.description.abstract	Lovastatin 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 (HMG-CoA) reductase. There is a hypothesis that pharmacological features of statins depend on their location in cell membrane, but to the present day, there is a lack of information in literature on interactions of statins with the surface of the cell membrane in liquid media. Intermolecular complex of lovastatin with dodecylphosphocholine (DPC) and sodium dodecylsulfate (SDS) micelles was investigated by NMR and computational methods. The results of NMR experiments and molecular dynamics (MD) simulation data showed that lovastatin forms intermolecular complexes with models of cell membranes in water solution. Locations of lovastatin on model membranes were established by NOESY NMR data. Distinctions in their positions can explain differences in pharmacological properties of studied compound. ? 2020, Springer Science+Business Media, LLC, part of Springer Nature.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Lovastatin	ru_RU
dc.subject	Micelles	ru_RU
dc.subject	Molecular complex	ru_RU
dc.subject	Molecular dynamics	ru_RU
dc.subject	Nuclear magnetic resonance	ru_RU
dc.subject	Nuclear Overhauser effect	ru_RU
dc.title	Interaction of Lovastatin with Model Membranes by NMR Data and from MD Simulations	ru_RU
dc.type	Articles in international journals and collections	ru_RU