Whether Molecular Dynamics Methods Can Explain Different Activities of Stereoisomers Against Respiratory Syncytial Virus or Not?
Тип публикации: Journal Article
Дата публикации: 2024-01-01
scimago Q4
wos Q4
БС3
SJR: 0.211
CiteScore: 1.9
Impact factor: 1.4
ISSN: 00224766, 15738779
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Краткое описание
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.
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Russian Chemical Reviews
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
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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.
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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.
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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 -
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@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}
}
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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, vol. 65, no. 1, Jan. 2024, pp. 82-91. https://link.springer.com/10.1134/S0022476624010086.
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