Quantitative structure activity relationships (QSAR) of substituded (S)-phenylpiperidines as preferential dopamine autoreceptor antagonists
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Authors
Pontiki, E. A.
Hadjipavlou-Litina, D. J.
Demertzis, A. M.
Hadjidakis, I.
Kovala-Demertzi, D.
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Abstract
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peer reviewed
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J Enzyme Inhib Med Chem
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Description
A QSAR analysis for substituted (S)-phenylpiperidines as dopamine (DA) antagonists is described. The studied derivatives differ at the nitrogen substitutent (R) and at the substitutents (X) of the phenyl-ring. The analysis was done using the C-QSAR suite program (Biobyte) through the Internet. Clog P, CMR, M-Vol, B-1 and L (the Verloop's sterimol parameters for the substitutents) were used as parameters. In all the three studied cases clog P plays a significant part in the QSAR of DA antagonists, followed by the steric factors. In one case the electronic effect contributes significantly.
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Keywords
quantitative structure activity relationships, (s)-phenylpiperidines, dopamine antagonists, qsar, receptors
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<Go to ISI>://000227432900002
http://informahealthcare.com/doi/abs/10.1080/14756360400002023
http://informahealthcare.com/doi/abs/10.1080/14756360400002023
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en
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Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας