Document Detail


Design and Docking Studies of [Diethylenetriaminepentaacetic Acid-(Amino Acid)(2)] with Acetylcholine Receptor as a Molecular Imaging Agent for Single-Photon Emission Computed Tomographic Application.
MedLine Citation:
PMID:  21955811     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
The acetylcholine receptor is an essential link between the brain and the muscles, so it is a sensitive location for attack. In this study, some reversible [diethylenetriaminepentaacetic acid-(amino acid)(2)] have been docked computationally to the active site of the acetylcholine receptor. The induced fit method was employed to perform the automolecular docking for these systems. The result of docking studies generated thermodynamic properties, such as free energy of bindings (Glide score) and their weak electrostatic interactions. On the basis of these results, scintigraphic imaging studies were performed in mice. Among the radiotracers evaluated in this study, compound derived from 5-hydroxytryptophan/tryptophan exhibited remarkable localization in the brain, whereas radiotracer derived from l-histidine shows moderate accumulation in the brain. Preliminary studies with these amino acid-based ligands are encouraging to carrying out further in vivo experiments for targeted imaging.
Authors:
Anjani K Tiwari; Vikas Singh Rathore; Deepa Sinha; Anupama Datta; Neeta Sehgal; Krishna Chuttani; Anil K Mishra
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2011-9-28
Journal Detail:
Title:  Molecular imaging     Volume:  -     ISSN:  1536-0121     ISO Abbreviation:  -     Publication Date:  2011 Sep 
Date Detail:
Created Date:  2011-9-29     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101120118     Medline TA:  Mol Imaging     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
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