2D-QSAR Analysis of Oxadiazole Substituted α-Isopropoxy phenylpropionic Acids as PPAR-α & PPAR-λ Agonists

A quantitative structure activity relationship study on a series of oxadiazole substituted α-isopropoxy phenylpropionic acids with activity on PPAR-α and PPAR-λ was made using combination of various physiochemical descriptors. Several statistical regression expressions were obtained using stepwise m...

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Main Authors: Soni L. K., Gupta A. K., Kaskhedikar S. G.
Format: Article
Language:English
Published: Wiley 2004-01-01
Series:E-Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2004/648376
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author Soni L. K.
Gupta A. K.
Kaskhedikar S. G.
author_facet Soni L. K.
Gupta A. K.
Kaskhedikar S. G.
author_sort Soni L. K.
collection DOAJ
description A quantitative structure activity relationship study on a series of oxadiazole substituted α-isopropoxy phenylpropionic acids with activity on PPAR-α and PPAR-λ was made using combination of various physiochemical descriptors. Several statistical regression expressions were obtained using stepwise multiple linear regression analysis. The best quantitative structure activity relationship model was further validated by leave one out cross validation method. Steric parameter (molar refractivity) was found to have significant correlationship with PPAR-λ agonist activity and hydrophobic (Hansch substituent constant), electronic parameter (field effect) were found to have significant correlationship with PPAR-α agonist activity. The increment in the number of carbon atom (indicative variable) between the oxadiazole tail and central phenoxy moiety increases the PPAR-λ agonist activity whereas decreases the PPAR-α agonist activity
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institution Kabale University
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spelling doaj-art-6426d02a7b7f48f1a7bfaac43eccd6f02025-02-03T01:21:18ZengWileyE-Journal of Chemistry0973-49452090-98102004-01-011317017710.1155/2004/6483762D-QSAR Analysis of Oxadiazole Substituted α-Isopropoxy phenylpropionic Acids as PPAR-α & PPAR-λ AgonistsSoni L. K.0Gupta A. K.1Kaskhedikar S. G.2Department of Pharmacy, S.G.S.I.T.S., 23 Park Road, Indore-452003, IndiaDepartment of Pharmacy, S.G.S.I.T.S., 23 Park Road, Indore-452003, IndiaDepartment of Pharmacy, S.G.S.I.T.S., 23 Park Road, Indore-452003, IndiaA quantitative structure activity relationship study on a series of oxadiazole substituted α-isopropoxy phenylpropionic acids with activity on PPAR-α and PPAR-λ was made using combination of various physiochemical descriptors. Several statistical regression expressions were obtained using stepwise multiple linear regression analysis. The best quantitative structure activity relationship model was further validated by leave one out cross validation method. Steric parameter (molar refractivity) was found to have significant correlationship with PPAR-λ agonist activity and hydrophobic (Hansch substituent constant), electronic parameter (field effect) were found to have significant correlationship with PPAR-α agonist activity. The increment in the number of carbon atom (indicative variable) between the oxadiazole tail and central phenoxy moiety increases the PPAR-λ agonist activity whereas decreases the PPAR-α agonist activityhttp://dx.doi.org/10.1155/2004/648376
spellingShingle Soni L. K.
Gupta A. K.
Kaskhedikar S. G.
2D-QSAR Analysis of Oxadiazole Substituted α-Isopropoxy phenylpropionic Acids as PPAR-α & PPAR-λ Agonists
E-Journal of Chemistry
title 2D-QSAR Analysis of Oxadiazole Substituted α-Isopropoxy phenylpropionic Acids as PPAR-α & PPAR-λ Agonists
title_full 2D-QSAR Analysis of Oxadiazole Substituted α-Isopropoxy phenylpropionic Acids as PPAR-α & PPAR-λ Agonists
title_fullStr 2D-QSAR Analysis of Oxadiazole Substituted α-Isopropoxy phenylpropionic Acids as PPAR-α & PPAR-λ Agonists
title_full_unstemmed 2D-QSAR Analysis of Oxadiazole Substituted α-Isopropoxy phenylpropionic Acids as PPAR-α & PPAR-λ Agonists
title_short 2D-QSAR Analysis of Oxadiazole Substituted α-Isopropoxy phenylpropionic Acids as PPAR-α & PPAR-λ Agonists
title_sort 2d qsar analysis of oxadiazole substituted α isopropoxy phenylpropionic acids as ppar α ppar λ agonists
url http://dx.doi.org/10.1155/2004/648376
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