QSAR Study of ORL1 Agonist Analgesic Effect of Some Imidazoles with Molecular Descriptors

Istratoaie, Octavian; Rotaru, Luciana Teodora; Varut, Renata Maria; Varut, Marius Ciprian; Fortofoiu, Mircea Catalin; Fortofoiu, Maria; Kostici, Roxana

Octavian Istratoaie, Luciana Teodora Rotaru, Renata Maria Varut, Marius Ciprian Varut, Mircea Catalin Fortofoiu, Maria Fortofoiu, Roxana Kostici

QSAR Study of ORL1 Agonist Analgesic Effect of Some Imidazoles with Molecular Descriptors

Abstract:

Imidazole and its derivates represent an interesting source of study for researchers for more than a century and was recently studied for their analgesic effect by ORL-1 receptor agonist effect on. In the theoretical study we used molecular mechanics programs and we characterized the structural properties for a series of ten imidazoles. The selected physico-chemical descriptors were: the HOMO and LUMO frontier orbitals, the dipole moment, the heat of formation, the total energy of the molecule, the ionization energy, the surface area and the molecular volume. From the correlation study we noticed the dependence between the analgesic effect and the total energy, the area of the molecular surface and the molecular volume.

Keywords:
imidazole; ORL1; QSAR

Issue: 2018, Volume 69, Issue 2

Pages: 459-462

Publication date: 2018/3/15

https://doi.org/10.37358/RC.18.2.6127

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This article is published under the Creative Commons Attribution 4.0 International License

Citation Styles

Cite this article as:
ISTRATOAIE, O., ROTARU, L.T., VARUT, R.M., VARUT, M.C., FORTOFOIU, M.C., FORTOFOIU, M., KOSTICI, R., QSAR Study of ORL1 Agonist Analgesic Effect of Some Imidazoles with Molecular Descriptors, Rev. Chim., 69(2), 2018, 459-462.

Vancouver
Istratoaie O, Rotaru LT, Varut RM, Varut MC, Fortofoiu MC, Fortofoiu M, Kostici R. QSAR Study of ORL1 Agonist Analgesic Effect of Some Imidazoles with Molecular Descriptors. Rev. Chim.[internet]. 2018 Feb;69(2):459-462. Available from: https://doi.org/10.37358/RC.18.2.6127

APA 6th edition
Istratoaie, O., Rotaru, L.T., Varut, R.M., Varut, M.C., Fortofoiu, M.C., Fortofoiu, M. & Kostici, R. (2018). QSAR Study of ORL1 Agonist Analgesic Effect of Some Imidazoles with Molecular Descriptors. Revista de Chimie, 69(2), 459-462. https://doi.org/10.37358/RC.18.2.6127

Harvard
Istratoaie, O., Rotaru, L.T., Varut, R.M., Varut, M.C., Fortofoiu, M.C., Fortofoiu, M., Kostici, R. (2018). 'QSAR Study of ORL1 Agonist Analgesic Effect of Some Imidazoles with Molecular Descriptors', Revista de Chimie, 69(2), pp. 459-462. https://doi.org/10.37358/RC.18.2.6127

IEEE
O. Istratoaie, L.T. Rotaru, R.M. Varut, M.C. Varut, M.C. Fortofoiu, M. Fortofoiu, R. Kostici, "QSAR Study of ORL1 Agonist Analgesic Effect of Some Imidazoles with Molecular Descriptors". Revista de Chimie, vol. 69, no. 2, pp. 459-462, 2018. [online]. https://doi.org/10.37358/RC.18.2.6127

Text
Octavian Istratoaie, Luciana Teodora Rotaru, Renata Maria Varut, Marius Ciprian Varut, Mircea Catalin Fortofoiu, Maria Fortofoiu, Roxana Kostici,
QSAR Study of ORL1 Agonist Analgesic Effect of Some Imidazoles with Molecular Descriptors,
Revista de Chimie,
Volume 69, Issue 2,
2018,
Pages 459-462,
ISSN 2668-8212,
https://doi.org/10.37358/RC.18.2.6127.
(https://revistadechimie.ro/Articles.asp?ID=6127)
Keywords: imidazole; ORL1; QSAR

RIS
TY - JOUR
T1 - QSAR Study of ORL1 Agonist Analgesic Effect of Some Imidazoles with Molecular Descriptors
A1 - Istratoaie, Octavian
A2 - Rotaru, Luciana Teodora
A3 - Varut, Renata Maria
A4 - Varut, Marius Ciprian
A5 - Fortofoiu, Mircea Catalin
A6 - Fortofoiu, Maria
A7 - Kostici, Roxana
JF - Revista de Chimie
JO - Rev. Chim.
PB - Revista de Chimie SRL
SN - 2668-8212
Y1 - 2018
VL - 69
IS - 2
SP - 459
EP - 462
UR - https://doi.org/10.37358/RC.18.2.6127
KW - imidazole
KW - ORL1
KW - QSAR
ER -

BibTex
@article{RevCh2018P459,
author = {Istratoaie Octavian and Rotaru Luciana Teodora and Varut Renata Maria and Varut Marius Ciprian and Fortofoiu Mircea Catalin and Fortofoiu Maria and Kostici Roxana},
title = {QSAR Study of ORL1 Agonist Analgesic Effect of Some Imidazoles with Molecular Descriptors},
journal = {Revista de Chimie},
volume = {69},
number = {2},
pages = {459-462},
year = {2018},
issn = {2668-8212},
doi = {https://doi.org/10.37358/RC.18.2.6127},
url = {https://revistadechimie.ro/Articles.asp?ID=6127}
}

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