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Modelo molecular teórico del receptor serotoninérgico 5HT2A acoplado a proteína G

Author(s): Rafael Eduardo Malagón Bernal | Manuel Alejandro Fernández Navas | Orlando Emilio Acevedo Sarmiento

Journal: Universitas Scientiarum
ISSN 0122-7483

Volume: 17;
Issue: 2;
Start page: 119;
Date: 2012;
Original page

Keywords: G protein receptor | hydrophobicity profile | Ramachandran plot | orthosteric site | molecular modelling.

Theoretical molecular model of the G protein-coupled 5HT2A serotonergic receptor. Objective Build a theoretical molecularmodel of the tertiary structure of the Homo sapiens 5HT2A receptor from experimentally obtained structures as templates. Materialsand methods In the construction of the theoretical model we considered the protocol established by Ballesteros and Weinstein for theconstruction of the G-protein coupled receptor, by the alignment of the amino acid sequence, hydrophobicity profiles, refinement ofloops by spatial restrictions and energy minimization with the force field OPLS_2005. Results The resulting model was validated bythe Ramachandran plot with 91.7% of amino acids within the limits set for angles phi and psi and a RMSD of 0.95 Å with respect tobovine rhodopsin. Conclusions We obtained a validated theoretical model useful in studies of ligand-receptor docking.
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