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Affinity of Aporphines for the Human 5-HT(2A) Receptor: Insights from Homology Modeling and Molecular Docking Studies

Analogs of nantenine were docked into a modeled structure of the human 5-HT(2A) receptor using ICM Pro, GLIDE and GOLD docking methods. The resultant docking scores were used to correlate with observed in vitro apparent affinity (K(e)) data. The GOLD docking algorithm when used with a homology model...

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Detalhes bibliográficos
Main Authors: Pecic, Stevan, Makkar, Pooja, Chaudhary, Sandeep, Reddy, Boojala V., Navarro, Hernan A., Harding, Wayne W.
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2918227/
https://ncbi.nlm.nih.gov/pubmed/20621490
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmc.2010.06.043
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