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.
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 - Kon_1139
UR - https://hdl.handle.net/21.15107/rcub_cherry_69
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 = "Kon_1139, https://hdl.handle.net/21.15107/rcub_cherry_69"
}
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.
Kon_1139
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.
Kon_1139 .
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,
Kon_1139 .
