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

Theoretical molecular model of the G protein-coupled 5HT2A serotonergic receptor. Objective Build a theoretical molecular model of the tertiary structure of the Homo sapiens 5HT2A receptor from experimentally obtained structures as templates. Materials and methods In the construction of the theoretical model we considered the protocol established by Ballesteros and Weinstein for the construction of the G-protein coupled receptor, by the alignment of the amino acid sequence, hydrophobicity profiles, refinement of loops by spatial restrictions and energy minimization with the force field OPLS_2005. Results The resulting model was validated by the 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 to bovine rhodopsin. Conclusions We obtained a validated theoretical model useful in studies of ligand-receptor docking.

• Autores: Malagón Bernal, Rafael Eduardo; Fernández Navas, Manuel Alejandro; Acevedo Sarmiento, Orlando Emilio
• Tipo de recurso: Article of journal
• Fecha de publicación: 2012
• Institución: Universidad de Ciencias Aplicadas y Ambientales U.D.C.A
• Repositorio: Repositorio Institucional UDCA
• Idioma: spa
• OAI Identifier: oai:repository.udca.edu.co:11158/3036
• Acceso en línea: https://revistas.javeriana.edu.co/index.php/scientarium/article/view/3687; https://doi.org/10.11144/javeriana.SC17-2.tmmo
• Palabra clave: Receptor proteína G; Perfil hidrofobicidad; Gráfico Ramachandran; Enlace ortoestérico; Modelaje molecular; Género humano; Proteínas; Aminoácidos; Bovina
• Rights: openAccess
• License: Derechos Reservados - Universidad de Ciencias Aplicadas y Ambientales