Open Access
Journal of Molecular Liquids, volume 336, pages 116244
Features of spatial structures of cyclosporins D, E and G revealed by NMR and MD simulations
Publication type: Journal Article
Publication date: 2021-08-01
Journal:
Journal of Molecular Liquids
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 6
ISSN: 01677322, 18733166
Materials Chemistry
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
Spectroscopy
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Abstract
• Cyclosporin variants were studied by NMR spectroscopy. • Structural information on the peptide molecules was extracted from NOE spectra. • Difference in backbone dynamics was revealed by MD simulations. • Biological action may depend on both structure and dynamical properties. Cyclosporins D, E and G were characterised by NMR spectroscopy, and backbone flexibility was studied by molecular dynamics simulation. Structures of the molecules were characterised by nuclear Overhauser effect spectroscopy, which revealed that the studied peptides have many common features. Molecular dynamics simulation showed that nanosecond dynamics of the backbone occurs in all cyclosporins, except CsE, which raised a question of how it can influence its biological activity.
Citations by journals
|
1
2
3
|
|
|
Journal of Molecular Liquids
|
Journal of Molecular Liquids
3 publications, 30%
|
|
Russian Journal of Physical Chemistry B
|
Russian Journal of Physical Chemistry B
2 publications, 20%
|
|
Russian Journal of Physical Chemistry A
|
Russian Journal of Physical Chemistry A
1 publication, 10%
|
|
Pharmaceutics
|
Pharmaceutics
1 publication, 10%
|
|
Materials
|
Materials
1 publication, 10%
|
|
International Journal of Molecular Sciences
|
International Journal of Molecular Sciences
1 publication, 10%
|
|
Molecules
|
Molecules
1 publication, 10%
|
|
1
2
3
|
Citations by publishers
|
1
2
3
4
|
|
|
Multidisciplinary Digital Publishing Institute (MDPI)
|
Multidisciplinary Digital Publishing Institute (MDPI)
4 publications, 40%
|
|
Pleiades Publishing
|
Pleiades Publishing
3 publications, 30%
|
|
Elsevier
|
Elsevier
3 publications, 30%
|
|
1
2
3
4
|
- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
{"yearsCitations":{"type":"bar","data":{"show":true,"labels":[2021,2022,2023],"ids":[0,0,0],"codes":[0,0,0],"imageUrls":["","",""],"datasets":[{"label":"Citations number","data":[2,5,3],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6"],"percentage":["20","50","30"],"barThickness":null}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"journals":{"type":"bar","data":{"show":true,"labels":["Journal of Molecular Liquids","Russian Journal of Physical Chemistry B","Russian Journal of Physical Chemistry A","Pharmaceutics","Materials","International Journal of Molecular Sciences","Molecules"],"ids":[13597,16359,6134,4502,25198,14627,1770],"codes":[0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/oZgeErrVFhuDksyqFURLvYS1wtVSBWczh001igGo_medium.webp","\/storage\/images\/resized\/oZgeErrVFhuDksyqFURLvYS1wtVSBWczh001igGo_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp"],"datasets":[{"label":"","data":[3,2,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[30,20,10,10,10,10,10],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Journals","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"publishers":{"type":"bar","data":{"show":true,"labels":["Multidisciplinary Digital Publishing Institute (MDPI)","Pleiades Publishing","Elsevier"],"ids":[202,101,17],"codes":[0,0,0],"imageUrls":["\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/oZgeErrVFhuDksyqFURLvYS1wtVSBWczh001igGo_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp"],"datasets":[{"label":"","data":[4,3,3],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6"],"percentage":[40,30,30],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Publishers","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}}}
Metrics
Cite this
GOST |
RIS |
BibTex
Cite this
GOST
Copy
Kobchikova P. P. et al. Features of spatial structures of cyclosporins D, E and G revealed by NMR and MD simulations // Journal of Molecular Liquids. 2021. Vol. 336. p. 116244.
GOST all authors (up to 50)
Copy
Kobchikova P. P., Efimov S., Khodov I. A., Klochkov V. V., Khodov I. A., Klochkov V. V. Features of spatial structures of cyclosporins D, E and G revealed by NMR and MD simulations // Journal of Molecular Liquids. 2021. Vol. 336. p. 116244.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1016/j.molliq.2021.116244
UR - https://doi.org/10.1016%2Fj.molliq.2021.116244
TI - Features of spatial structures of cyclosporins D, E and G revealed by NMR and MD simulations
T2 - Journal of Molecular Liquids
AU - Kobchikova, P P
AU - Efimov, S.V.
AU - Khodov, I A
AU - Klochkov, V V
AU - Khodov, Ilya A.
AU - Klochkov, V V
PY - 2021
DA - 2021/08/01 00:00:00
PB - Elsevier
SP - 116244
VL - 336
SN - 0167-7322
SN - 1873-3166
ER -
Cite this
BibTex
Copy
@article{2021_Kobchikova,
author = {P P Kobchikova and S.V. Efimov and I A Khodov and V V Klochkov and Ilya A. Khodov and V V Klochkov},
title = {Features of spatial structures of cyclosporins D, E and G revealed by NMR and MD simulations},
journal = {Journal of Molecular Liquids},
year = {2021},
volume = {336},
publisher = {Elsevier},
month = {aug},
url = {https://doi.org/10.1016%2Fj.molliq.2021.116244},
pages = {116244},
doi = {10.1016/j.molliq.2021.116244}
}
Labs
Profiles