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Scientific Reports
,  том 13 ,  издание 1 ,  номер публикации 17653

From himachalenes to trans-himachalol: unveiling bioactivity through hemisynthesis and molecular docking analysis

A Faris 1
, 
Y Edder 1
, 
I. Louchachha 1
, 
I Ait Lahcen 1
, 
K Azzaoui 2
, 
B. HAMMOUTI 3
, 
M. Merzouki 4
, 
A. Challioui 4
, 
B Boualy 5
, 
A. Karim 1
, 
G Hanbali 1
, 
S Jodeh 6
1
 
2
 
3
 
Euro-Mediterranean University of Fes, Fez, Morocco | 
4
 
Laboratoire de Chimie Appliquée et Environnement - Equipe Chimie Organique Macromoléculaire et Phytochimie, Faculté des Sciences, Université Mohammed Ier, Oujda, Morocco | 
5
 
6
 
Department of Chemistry, AN-najah National University, Nablus, Palestine | 
Тип публикации: Journal Article
Дата публикации: 2023-10-17
Springer Nature
scimago Q1
wos Q1
БС1
SJR: 0.874
CiteScore: 6.7
Impact factor: 3.9
ISSN: 20452322
Multidisciplinary
Краткое описание

In this study, we report the first total hemisynthesis of trans-himachalol sesquiterpene, a stereoisomer of the natural cis-himachalol isolated from Cedrus atlantica essential oils, from himachalenes mixture in five steps. Reactions conditions were optimized and structures of the obtained compounds were confirmed by IR, mass spectra, 1H, and 13C NMR. The synthesized compounds were investigated for potential activities on various isolated smooth muscles and against different neurotransmitters using molecular docking. The results show that the synthesized compounds display high affinities towards the active site of the protein 7B2W and the compounds exhibit promising activities on various isolated smooth muscles and against different neurotransmitters.

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Faris A. et al. From himachalenes to trans-himachalol: unveiling bioactivity through hemisynthesis and molecular docking analysis // Scientific Reports. 2023. Vol. 13. No. 1. 17653
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Faris A., Edder Y., Louchachha I., Lahcen I. A., Azzaoui K., HAMMOUTI B., Merzouki M., Challioui A., Boualy B., Karim A., Hanbali G., Jodeh S. From himachalenes to trans-himachalol: unveiling bioactivity through hemisynthesis and molecular docking analysis // Scientific Reports. 2023. Vol. 13. No. 1. 17653
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TY - JOUR
DO - 10.1038/s41598-023-44652-z
UR - https://doi.org/10.1038/s41598-023-44652-z
TI - From himachalenes to trans-himachalol: unveiling bioactivity through hemisynthesis and molecular docking analysis
T2 - Scientific Reports
AU - Faris, A
AU - Edder, Y
AU - Louchachha, I.
AU - Lahcen, I Ait
AU - Azzaoui, K
AU - HAMMOUTI, B.
AU - Merzouki, M.
AU - Challioui, A.
AU - Boualy, B
AU - Karim, A.
AU - Hanbali, G
AU - Jodeh, S
PY - 2023
DA - 2023/10/17
PB - Springer Nature
IS - 1
VL - 13
PMID - 37848506
SN - 2045-2322
ER -
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@article{2023_Faris,
author = {A Faris and Y Edder and I. Louchachha and I Ait Lahcen and K Azzaoui and B. HAMMOUTI and M. Merzouki and A. Challioui and B Boualy and A. Karim and G Hanbali and S Jodeh},
title = {From himachalenes to trans-himachalol: unveiling bioactivity through hemisynthesis and molecular docking analysis},
journal = {Scientific Reports},
year = {2023},
volume = {13},
publisher = {Springer Nature},
month = {oct},
url = {https://doi.org/10.1038/s41598-023-44652-z},
number = {1},
pages = {17653},
doi = {10.1038/s41598-023-44652-z}
}