Conformational analysis and a crystal structure of bupropion, an antidepressant with dopamine reuptake blocking activity.
A conformational analysis has been performed on the antidepressant bupropion using the MM3-92 program. In addition, the structure of the compound in the crystal state was obtained. There is good agreement between the computed global minimum and the structure observed by crystallography. The three-dimensional structure of the preferred conformer of bupropion is consistent with the three-dimensional structures of other dopamine reuptake blockers such as cocaine, CFT, and methylphenidate.
Froimowitz
M
M
Pharm-Eco Laboratories, Lexington, Massachusetts 02173-7800, USA. markf@pharmeco.com
George
C
C
D018687:Antidepressive Agents, Second-Generation / Q000737:chemistry* / Q000494:pharmacology; D016642:Bupropion / Q000737:chemistry* / Q000494:pharmacology; D003460:Crystallization; D018360:Crystallography, X-Ray; D018765:Dopamine Uptake Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D008958:Models, Molecular; D008968:Molecular Conformation; D012984:Software; D013329:Structure-Activity Relationship; D013816:Thermodynamics
D018687:Antidepressive Agents, Second-Generation; D018765:Dopamine Uptake Inhibitors; D016642:Bupropion