QSAR study of platelet-activating factor (PAF) receptor binding antagonist
The aim of this study was to find the structure activity relationship between the platelet-activating factor (PAF) receptor binding antagonist activity and the psychochemical properties of flavonoids 1-11 by using quantum chemical QSAR approach. The semi-empirical method quantum method was used t...
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| Main Authors: | , , |
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| Format: | Conference or Workshop Item |
| Language: | English English English |
| Published: |
2013
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| Subjects: | |
| Online Access: | http://irep.iium.edu.my/34147/9/QSAR_-_ICBioE2013_proceedings_paper_pp-684-690.pdf http://irep.iium.edu.my/34147/2/Brochure.pdf http://irep.iium.edu.my/34147/3/ICBIOE_2013_Cover_Page_till_Table_of_contents.pdf http://irep.iium.edu.my/34147/ |
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| Summary: | The aim of this study was to find the structure activity relationship between the platelet-activating
factor (PAF) receptor binding antagonist activity and the psychochemical properties of flavonoids
1-11 by using quantum chemical QSAR approach. The semi-empirical method quantum method
was used to optimize the molecular structures of the flavanoids and various quantum chemical
descriptors were calculated from the optimized structures. Heuristic and multi-linear regression
methods were used to determine the correlation between the quantum chemical properties and the
experimental PAF receptor binding inhibitory activity. The best correlation equation was obtained
using three descriptors and multi-linear correlation method with R2= 0.9632 |
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