Article
Antagonist binding in the rat muscarinic receptor A study by docking and X-ray crystallography.
Computational biology and chemistry - 1 Dec 2004
Tanczos Anna C, Palmer Rex A, Potter Brian S, Saldanha José W, Howlin Brendan J
Abstract excerpt
A series of agonists to the rat muscarinic receptor have been docked computationally to the active site of a homology model of rat M1 muscarinic receptor. The agonists were modelled on the X-ray crystal structure of atropine, which is reported here and the docking studies are shown to reproduce correctly the order of experimental binding affinities for the agonists as well as indicate where there appear to be...
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