Enaminones 10. Molecular modeling aspects of the 5-methylcyclohexenone derivatives.
This article expands upon our original submission to the Eddington, N. D.; Cox, D. S.; Khurana, M.; Salama, N. N.; Stables, J. P.; Harrison, S. J.; Negussie, A.; Taylor, R. S.; Tran, U. Q.; Moore, J. A.; Barrow, J. C.; Scott, K. R. Eur. J. Med. Chem.2003, 38, 49 on a series of twenty (20) compounds, all 5-methyl-3-[(substituted)-phenylamino]-cyclohex-2-enone derivatives. This article provides the reasons why the compounds are active/inactive. By use of computational methods, the reasons for activity/inactivity are explained.
Gibson
Ainsley
A
Department of University Informational Services, Georgetown University, Washington, DC 20057, United States.
Harkless
John
J
Alexander
Mariano
M
Scott
K R
KR
D000927:Anticonvulsants / Q000737:chemistry* / Q000494:pharmacology*; D003198:Computer Simulation; D003512:Cyclohexanones / Q000737:chemistry* / Q000494:pharmacology*; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D013329:Structure-Activity Relationship
D000927:Anticonvulsants; D003512:Cyclohexanones