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Molecular modeling, X-ray diffraction analysis, and the study of iNOS inhibitor activity of 3-imino-2,4-diazabicyclo[3.3.1]nonan-1-ol hydrochloride |
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| Authors: | E D Plotnikova E V Nurieva D I Peregud M V Onufriev N V Gulyaeva V M Makarchuk M V Filimonova N S Zefirov O N Zefirova |
| Institution: | 1. Lomonosov Moscow State University, Moscow, 119992, Russia 2. National Scientific Center of Narcology of Russian Ministry of Health, Moscow, Russia 3. Institute of Higher Nervous Activity and Neurophysiology of Russian Academy of Sciences, Moscow, Russia 4. Medical Radiological Scientific Center of Russian Ministry of Health, Obninsk, Russia 5. Institute of Physiologically Active Substances of Russian Academy of Sciences, Chernogolovka, Russia |
| Abstract: | iNOS-Inhibitor activity of 3-imino-2,4-diazabicyclo3.3.1]nonan-1-ol hydrochloride was predicted basing on molecular modeling and was confirmed by experiments in vitro. The results of the study by XRD analysis of the molecular and crystal structure of this compound are reported. |
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