Abstract

Divya G Nair¹, V.L.Pushpa², K. Kurien Thomas¹ and K. B. Manoj²

DOI : http://dx.doi.org/10.13005/ojc/330631

The QSAR analysis provides significant structural insight to help the design of novel antihypercholesterolemic compounds. 2D-QSAR model for a set of 23 LSS inhibitors that have antihypercholesterolemic activity was derived. The lanosterol synthase inhibitory activity data and various physicochemical descriptors were preferred as dependent and independent variables respectively. The Multiple Linear Regression (MLR) is taken to choose the best model. Here we have derived two best QSAR models to discuss the structural properties significant for the OSC inhibitory activity. In these models, the following parameters 3D- MoRSE parameter (Mor07e), WHIM parameter (G3e), GETAWAY parameter (R6p₊), Radial Distribution Function parameters (RDF110u and RDF110e) have provided for the LSS inhibitory prediction. This structure activity relationship obtained for the molecule is comparable with the QSAR results and this agreed with the results developed from QSAR studies.

QSAR; Lanosterol synthase inhibitors; Physicochemical descriptors; MLR

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