![](/images/graphics-bg.png)
Development and Validation of Quantitative Structure-Activity Relationship Models for Compounds Acting on Serotoninergic Receptors
Joint Authors
Brzezińska, Elżbieta
Żydek, Grażyna
Source
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-11, 11 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-04-24
Country of Publication
Egypt
No. of Pages
11
Main Subjects
Natural & Life Sciences (Multidisciplinary)
Medicine
Information Technology and Computer Science
Abstract EN
A quantitative structure-activity relationship (QSAR) study has been made on 20 compounds with serotonin (5-HT) receptor affinity.
Thin-layer chromatographic (TLC) data and physicochemical parameters were applied in this study.
RP2 TLC 60F254 plates (silanized) impregnated with solutions of propionic acid, ethylbenzene, 4-ethylphenol, and propionamide (used as analogues of the key receptor amino acids) and their mixtures (denoted as S1–S7 biochromatographic models) were used in two developing phases as a model of drug-5-HT receptor interaction.
The semiempirical method AM1 (HyperChem v.
7.0 program) and ACD/Labs v.
8.0 program were employed to calculate a set of physicochemical parameters for the investigated compounds.
Correlation and multiple linear regression analysis were used to search for the best QSAR equations.
The correlations obtained for the compounds studied represent their interactions with the proposed biochromatographic models.
The good multivariate relationships (R2=0.78–0.84) obtained by means of regression analysis can be used for predicting the quantitative effect of biological activity of different compounds with 5-HT receptor affinity.
“Leave-one-out” (LOO) and “leave-N-out” (LNO) cross-validation methods were used to judge the predictive power of final regression equations.
American Psychological Association (APA)
Żydek, Grażyna& Brzezińska, Elżbieta. 2012. Development and Validation of Quantitative Structure-Activity Relationship Models for Compounds Acting on Serotoninergic Receptors. The Scientific World Journal،Vol. 2012, no. 2012, pp.1-11.
https://search.emarefa.net/detail/BIM-450427
Modern Language Association (MLA)
Żydek, Grażyna& Brzezińska, Elżbieta. Development and Validation of Quantitative Structure-Activity Relationship Models for Compounds Acting on Serotoninergic Receptors. The Scientific World Journal No. 2012 (2012), pp.1-11.
https://search.emarefa.net/detail/BIM-450427
American Medical Association (AMA)
Żydek, Grażyna& Brzezińska, Elżbieta. Development and Validation of Quantitative Structure-Activity Relationship Models for Compounds Acting on Serotoninergic Receptors. The Scientific World Journal. 2012. Vol. 2012, no. 2012, pp.1-11.
https://search.emarefa.net/detail/BIM-450427
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-450427