Pleiades Publishing
Journal of Structural Chemistry
,  volume 65 ,  issue 1 ,  pages 82-91

Whether Molecular Dynamics Methods Can Explain Different Activities of Stereoisomers Against Respiratory Syncytial Virus or Not?

Publication type: Journal Article
Publication date: 2024-01-01
Pleiades Publishing
scimago Q4
wos Q4
SJR: 0.211
CiteScore: 1.9
Impact factor: 1.4
ISSN: 00224766, 15738779
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
The antiviral activity of monoterpene-aryl coumarin conjugates depends on the absolute configuration of the monoterpene moiety, which seems to be due to different arrangements of compounds at the binding site of the F-protein of respiratory syncytial virus - the supposed target for these compounds. Molecular dynamics and metadynamics methods make it possible to estimate the difference in the nature of the interaction between stereoisomers and key amino acid residues of the binding site and to explain their different antiviral activity.
Found 
Found 
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Borisevich S. S. et al. Whether Molecular Dynamics Methods Can Explain Different Activities of Stereoisomers Against Respiratory Syncytial Virus or Not? // Journal of Structural Chemistry. 2024. Vol. 65. No. 1. pp. 82-91.
GOST all authors (up to 50) Copy
Borisevich S. S., Volcho K. P., Salakhutdinov N. F. Whether Molecular Dynamics Methods Can Explain Different Activities of Stereoisomers Against Respiratory Syncytial Virus or Not? // Journal of Structural Chemistry. 2024. Vol. 65. No. 1. pp. 82-91.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1134/s0022476624010086
UR - https://link.springer.com/10.1134/S0022476624010086
TI - Whether Molecular Dynamics Methods Can Explain Different Activities of Stereoisomers Against Respiratory Syncytial Virus or Not?
T2 - Journal of Structural Chemistry
AU - Borisevich, S S
AU - Volcho, K P
AU - Salakhutdinov, N. F.
PY - 2024
DA - 2024/01/01
PB - Pleiades Publishing
SP - 82-91
IS - 1
VL - 65
SN - 0022-4766
SN - 1573-8779
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2024_Borisevich,
author = {S S Borisevich and K P Volcho and N. F. Salakhutdinov},
title = {Whether Molecular Dynamics Methods Can Explain Different Activities of Stereoisomers Against Respiratory Syncytial Virus or Not?},
journal = {Journal of Structural Chemistry},
year = {2024},
volume = {65},
publisher = {Pleiades Publishing},
month = {jan},
url = {https://link.springer.com/10.1134/S0022476624010086},
number = {1},
pages = {82--91},
doi = {10.1134/s0022476624010086}
}
MLA
Cite this
MLA Copy
Borisevich, S. S., et al. “Whether Molecular Dynamics Methods Can Explain Different Activities of Stereoisomers Against Respiratory Syncytial Virus or Not?.” Journal of Structural Chemistry, vol. 65, no. 1, Jan. 2024, pp. 82-91. https://link.springer.com/10.1134/S0022476624010086.