Conformational study of fentanyl and its analogs.2. Conformational space and electronic properties of ohmefentanyl
Апстракт
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.
Кључне речи:
Fentanyl analogs / Molecular mechanics / Molecular modeling / Ohmefentanyl / Structure-activity relationshipИзвор:
Journal of the Serbian Chemical Society, 1996, 61, 11, 1075-1081Колекције
Институција/група
Hemijski fakultet / Faculty of ChemistryTY - 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 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" }
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 .