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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...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Pecic, Stevan, Makkar, Pooja, Chaudhary, Sandeep, Reddy, Boojala V., Navarro, Hernan A., Harding, Wayne W.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2010
Schlagworte:
Online Zugang: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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