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February 2001; 59 (2)
[Index by Author]
[Cover Caption]
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About the cover: Molecular modeling and site-directed
mutagenesis reveal differential binding of
-methyl 5HT to the
5-HT2A receptor. Views (from the extracellular side of the
receptor) of the transmembrane helices (represented as tubes), showing
various agonists (green) and all residues within a 3.5-Å sphere
radius of the agonist molecule in energy-minimized complexes after
100-ps molecular dynamics simulations. The top two panels show the
simulated binding of 5-methyl-DMT and N-
-methyl-5HT. The
bottom two panels show two views of the simulated binding of
-Me-5HT
to the 5-HT2A receptor after two different molecular dynamics
simulations (see Results and Discussion for
details). Color coding of ligand and receptor atoms: red, O; green, N;
cyan, H; white, C in the receptor; green: C in the ligand. Mol
Pharmacol 58:877-886.