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QSAR analysis of oxidiazole benzene sulfonamide derivative as ?3-adrenergic receptor agonist
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| Author:
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UPLOADED BY-ADMIN, D. PATEL, N. M. PATEL
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| Abstract:
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To establish QSAR between physicochemical descriptor and ?3-adrenergic receptor agonist
of oxadiazole benzene sulfonamide. Computational chemistry based Insilico method. ?3 adrenergic
receptor is considered as one of the potential target for obesity therapy involving thermogenesis
process in brown adipose tissue. Biological data were divided in to four classes on
activity basis, and training and test set was selected by considering all class of molecule. Several
significant equations with good co-efficient (r2>0.7) of correlation were obtained; the final
model was selected based on forward selection of molecular descriptor. Good QSAR correlation
established with r2 = 0.841 and it is statistically significant The final model is able to predict
activity accurately for active compounds of the test set series and was further cross validated.
QSAR model developed here is statistically significant and can be utilize in further optimizing
the series for further development.
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| Keyword:
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QSAR, benzene sulphonamide, Agonist, obesity, ?3 adrenergic receptor
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| DOI:
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