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The Study of Topological Modeling on Lipoxygenase Inhibitor by QSAR


Affiliations
1 Dept. of Biotechnology & Botany, Govt. New Science College, Rewa (M.P.), India
2 Dept. of Botany, Govt Girls P.G. College, Rewa (M.P.), India
3 Dept. of Chemistry, APSU, Rewa (M.P.), India
     

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A Lipoxygenase inhibitor is a drug which slows down or stops the action of the lipoxygenase enzyme. More precisely, the term is almost always used to describe an inhibitor of the arachidonate 5-lipoxygenase enzyme, which transforms EFAs into leukotrienes. Examples include-Azelastine diethylcarbamazine, nordihydroguaiaretic acid, zileuton, In this study we have investigated that the oxidation of various substrates (linoleic acid, methyl linoleate, phosphatidylcholine, isolated LDL, and human plasma) by the arachidonate 15-lipoxygenases from rabbit reticulocytes and soybeans aiming at elucidating the effects of substrate, lipoxygenase and reaction milieu on the contribution and mechanism of random oxidation and also the effect of antioxidant.The complete descriptors data set of all compounds were considered as independent variable and biological activity as dependent variable www. ncss. com software was used to generate QSAR models by step wise multiple linear regression analysis statistical measures used were n-number of compounds in regression, in correlation coefficients F-test (Fischer's value for statistical significance). SE-standard error of estimations and correlation matrix to show correlation. This is clearly predict that our proposed tetra parametric model in most appropriate model for modeling inhibition activity log1/IC50, for lipoxygenase inhibitor set of 41 compounds. Finally I obtained my results, that is suggesting that proposed combination QSAR models could be useful in predicting the Lypoxygenase inhibiting activity of Arachidonate 5-Lypoxygenase enzyme.

Keywords

QSAR, Topological Designing, Lipoxygenase Inhibitor.
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  • The Study of Topological Modeling on Lipoxygenase Inhibitor by QSAR

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Authors

Sherendra K. Sahu
Dept. of Biotechnology & Botany, Govt. New Science College, Rewa (M.P.), India
R. R. Dwivedi
Dept. of Biotechnology & Botany, Govt. New Science College, Rewa (M.P.), India
Skand K. Mishra
Dept. of Biotechnology & Botany, Govt. New Science College, Rewa (M.P.), India
Neeta Singh
Dept. of Botany, Govt Girls P.G. College, Rewa (M.P.), India
Sunita Gupta
Dept. of Chemistry, APSU, Rewa (M.P.), India

Abstract


A Lipoxygenase inhibitor is a drug which slows down or stops the action of the lipoxygenase enzyme. More precisely, the term is almost always used to describe an inhibitor of the arachidonate 5-lipoxygenase enzyme, which transforms EFAs into leukotrienes. Examples include-Azelastine diethylcarbamazine, nordihydroguaiaretic acid, zileuton, In this study we have investigated that the oxidation of various substrates (linoleic acid, methyl linoleate, phosphatidylcholine, isolated LDL, and human plasma) by the arachidonate 15-lipoxygenases from rabbit reticulocytes and soybeans aiming at elucidating the effects of substrate, lipoxygenase and reaction milieu on the contribution and mechanism of random oxidation and also the effect of antioxidant.The complete descriptors data set of all compounds were considered as independent variable and biological activity as dependent variable www. ncss. com software was used to generate QSAR models by step wise multiple linear regression analysis statistical measures used were n-number of compounds in regression, in correlation coefficients F-test (Fischer's value for statistical significance). SE-standard error of estimations and correlation matrix to show correlation. This is clearly predict that our proposed tetra parametric model in most appropriate model for modeling inhibition activity log1/IC50, for lipoxygenase inhibitor set of 41 compounds. Finally I obtained my results, that is suggesting that proposed combination QSAR models could be useful in predicting the Lypoxygenase inhibiting activity of Arachidonate 5-Lypoxygenase enzyme.

Keywords


QSAR, Topological Designing, Lipoxygenase Inhibitor.