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Conformational study of fentanyl and its analogs.2. Conformational space and electronic properties of ohmefentanyl

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Authors
Došen-Mićović, Ljiljana
Ivanović, Milovan
Roglić, Goran
Mićović, I.V.
Article (Published version)
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Abstract
The conformational space and electronic properties of the two physiologically active stereoisomers of ohmefentanyl have been studied by molecular mechanics and semiempirical molecular orbital (PM3) calculational methods. The global minimum conformations of the two stereoisomers were found, as were other conformations present in the low energy region up to 10.5 kJ/mol above the global minima. The electronic properties of the two isomers, in their receptor-recognized conformations, are very similar and the important difference in their activities may be attributed primarly to their conformatonal characteristics.
Keywords:
Fentanyl analogs / Molecular mechanics / Molecular modeling / Ohmefentanyl / Structure-activity relationship
Source:
Journal of the Serbian Chemical Society, 1996, 61, 11, 1075-1081

ISSN: 0352-5139

Scopus: 2-s2.0-21444445426
[ Google Scholar ]
4
Handle
https://hdl.handle.net/21.15107/rcub_cherry_69
URI
https://cherry.chem.bg.ac.rs/handle/123456789/69
Collections
  • Publikacije
Institution/Community
Hemijski fakultet
TY  - JOUR
AU  - Došen-Mićović, Ljiljana
AU  - Ivanović, Milovan
AU  - Roglić, Goran
AU  - Mićović, I.V.
PY  - 1996
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/69
AB  - The conformational space and electronic properties of the two physiologically active stereoisomers of ohmefentanyl have been studied by molecular mechanics and semiempirical molecular orbital (PM3) calculational methods. The global minimum conformations of the two stereoisomers were found, as were other conformations present in the low energy region up to 10.5 kJ/mol above the global minima. The electronic properties of the two isomers, in their receptor-recognized conformations, are very similar and the important difference in their activities may be attributed primarly to their conformatonal characteristics.
T2  - Journal of the Serbian Chemical Society
T1  - Conformational study of fentanyl and its analogs.2. Conformational space and electronic properties of ohmefentanyl
VL  - 61
IS  - 11
SP  - 1075
EP  - 1081
UR  - https://hdl.handle.net/21.15107/rcub_cherry_69
UR  - Kon_1139
ER  - 
@article{
author = "Došen-Mićović, Ljiljana and Ivanović, Milovan and Roglić, Goran and Mićović, I.V.",
year = "1996",
abstract = "The conformational space and electronic properties of the two physiologically active stereoisomers of ohmefentanyl have been studied by molecular mechanics and semiempirical molecular orbital (PM3) calculational methods. The global minimum conformations of the two stereoisomers were found, as were other conformations present in the low energy region up to 10.5 kJ/mol above the global minima. The electronic properties of the two isomers, in their receptor-recognized conformations, are very similar and the important difference in their activities may be attributed primarly to their conformatonal characteristics.",
journal = "Journal of the Serbian Chemical Society",
title = "Conformational study of fentanyl and its analogs.2. Conformational space and electronic properties of ohmefentanyl",
volume = "61",
number = "11",
pages = "1075-1081",
url = "https://hdl.handle.net/21.15107/rcub_cherry_69, Kon_1139"
}
Došen-Mićović, L., Ivanović, M., Roglić, G.,& Mićović, I.V.. (1996). Conformational study of fentanyl and its analogs.2. Conformational space and electronic properties of ohmefentanyl. in Journal of the Serbian Chemical Society, 61(11), 1075-1081.
https://hdl.handle.net/21.15107/rcub_cherry_69
Došen-Mićović L, Ivanović M, Roglić G, Mićović I. Conformational study of fentanyl and its analogs.2. Conformational space and electronic properties of ohmefentanyl. in Journal of the Serbian Chemical Society. 1996;61(11):1075-1081.
https://hdl.handle.net/21.15107/rcub_cherry_69 .
Došen-Mićović, Ljiljana, Ivanović, Milovan, Roglić, Goran, Mićović, I.V., "Conformational study of fentanyl and its analogs.2. Conformational space and electronic properties of ohmefentanyl" in Journal of the Serbian Chemical Society, 61, no. 11 (1996):1075-1081,
https://hdl.handle.net/21.15107/rcub_cherry_69 .

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