158942-46-2Relevant academic research and scientific papers
Synthesis, biological activity, and molecular modeling studies of selective 5-HT(2C/2B) receptor antagonists
Forbes, Ian T.,Dabbs, Steven,Duckworth, D. Malcolm,Ham, Peter,Jones, Graham E.,King, Frank D.,Saunders, Damian V.,Blaney, Frank E.,Naylor, Christopher B.,Baxter, Gordon S.,Blackburn, Thomas P.,Kennett, Guy A.,Wood, Martyn D.
, p. 4966 - 4977 (1996)
The synthesis and biological activity are reported for a series of analogues of the previously published indole urea 2 (SB-206553), designed to probe the 5-HT(2C) receptor binding site. Small molecule modeling studies have been used to define a region in space which is allowed at the 5-HT(2C) receptor but disallowed at the 5-HT(2A) receptor. In a complementary approach, docking of 2 into our model of the 5-HT(2C) receptor has allowed us to propose a novel primary binding interaction for this series of diaryl ureas, involving a potential double hydrogen-bonding interaction between the urea carbonyl oxygen of the ligand and two serine residues in the receptor. The difference of two valine residues in the 5-HT(2C) receptor for leucine residues in the 5-HT(2A) receptor is believed to account for the observed 5- HT(2C)/5-HT(2A) selectivity with 2.
