1219495-30-3Relevant academic research and scientific papers
Comparative molecular field analysis of fenoterol derivatives: A platform towards highly selective and effective β2-adrenergic receptor agonists
Jozwiak, Krzysztof,Woo, Anthony Yiu-Ho,Tanga, Mary J.,Toll, Lawrence,Jimenez, Lucita,Kozocas, Joseph A.,Plazinska, Anita,Xiao, Rui-Ping,Wainer, Irving W.
experimental part, p. 728 - 736 (2010/05/02)
Purpose: To use a previously developed CoMFA model to design a series of new structures of high selectivity and efficacy towards the β2-adrenergic receptor. Results: Out of 21 computationally designed structures 6 compounds were synthesized and characterized for β2-AR binding affinities, subtype selectivities and functional activities. Conclusion: the best compound is (R,R)-4-methoxy-1-naphthylfelnoterol with Kiβ2-AR = 0.28 μm, Kiβ1-AR/Kiβ2-AR = 573, EC50cAMP = 3.9 nm, EC50cardio = 16 nm. The CoMFA model appears to be an effective predictor of the cardiomocyte contractility of the studied compounds which are targeted for use in congestive heart failure.
