1993, English, Article edition: Molecular dynamics of the 5-HT1a receptor and ligands Sylte, Ingebrigt; Edvardsen, Øyvind; Dahl, Svein G.

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Bookmark: http://trove.nla.gov.au/version/210468
Physical Description
  • text/​html
Published
  • Oxford University Press
  • 1993-09-01 00:00:00.0
Language
  • English

Edition details

Title
  • Molecular dynamics of the 5-HT1a receptor and ligands
Author
  • Sylte, Ingebrigt
  • Edvardsen, Øyvind
  • Dahl, Svein G.
Published
  • Oxford University Press
  • 1993-09-01 00:00:00.0
Physical Description
  • text/​html
Subjects
Notes
  • A 3-D model of the human 5-HT 1a receptor was constructed from its amino acid sequence by computer graphics techniques, molecular mechanics calculations and molecular dynamics simulations. The model has seven α-helical membrane spanning segments, which form a central core containing a putative ligand binding site. Electrostatic potentials 1.4 Å outside the water accessible surface were mainly negative on the synaptic side of the receptor model and at the postulated ligand binding site, and positive in the cytoplasmic domains. The negative electrostatic potentials around the synaptic domains indicate that positively charged ligands are attracted to the receptor by electrostatic forces. Molecular dynamics simulations of the receptor model with serotonin, ipsapirone, R(−)-methiothepin or S(&​plus;)- methiothepin in the central core suggested that up to 22 different amino acid residues may form a ligand binding pocket, and contribute to the specificity of ligand recognition and binding.
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  • Copyright (C) 1993, Oxford University Press
Language
  • English
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