PMID: 3504213Jul 1, 1987Paper

Structure-activity relationships for apomorphine congeners. Conformational energies vs. biological activities

Journal of Computer-aided Molecular Design
I Pettersson, T Liljefors

Abstract

A series of apomorphine congeners has been studied with respect to their ability to mimic the structural requirements of the dopamine pharmacophore in the potent and stereoselective dopamine receptor agonist (R)-apomorphine. Conformational energies of the mimicking structures calculated by molecular mechanics (MMP2) correlate well with the observed biological activities.

References

Mar 1, 1978·Proceedings of the National Academy of Sciences of the United States of America·M TitelerP Seeman
Aug 1, 1979·Journal of Medicinal Chemistry·J G CannonR J Naylor
Apr 1, 1985·Medicinal Research Reviews·C Kaiser, T Jain
Apr 1, 1986·Journal of Medicinal Chemistry·E J Lloyd, P R Andrews
Mar 1, 1973·Journal of Medicinal Chemistry·J G CannonJ P Long
Apr 1, 1972·Journal of Medicinal Chemistry·J G CannonM A Aleem

Citations

Dec 21, 2011·Journal of Computer-aided Molecular Design·David W Borhani, David E Shaw
Feb 1, 1997·Journal of Photochemistry and Photobiology. B, Biology·H DumminH W Zimmermann
Dec 13, 2005·Bioorganic & Medicinal Chemistry·Mohamed A H IsmailRabah A T Serya
Sep 4, 2017·Journal of Molecular Modeling·Oscar ParraviciniRicardo D Enriz

Related Concepts

Apokinon
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In Silico
Dopamine Receptor
Structure-Activity Relationship
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