Comparative molecular field analysis of fenoterol derivatives: A platform towards highly selective and effective β(2)-adrenergic receptor agonists

The purpose of this study was to use a previously developed CoMFA model to design a series of new structures of high selectivity and efficacy towards the β(2)-adrenergic receptor.

Out of 21 computationally designed structures, 6 compounds were synthesized and characterized for β(2)-AR binding affinities, subtype selectivities and functional activities.

 

Krzysztof Jozwiak, Anthony Yiu-Ho Woo, Mary J. Tanga, Lawrence Toll, Lucita Jimenez, Joseph A. Kozocas, Anita Plazinska, Rui-Ping Xiao, Irving W. Wainer
January 15, 2010
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