QSAR Studies of Lanosterol Synthase Inhibitors as Potential Antihypercholesterolemic Compounds

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11

作者:

D NairVL PushpaK ThomasKB Manoj

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摘要:

The QSAR analysis provides significant structural insight to help the design of novel antihyper cholesterolemic compounds. 2D-QSAR model for a set of 23 LSS inhibitors that have antihyper cholesterolemic 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 3DMoRSE 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.

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DOI:

10.13005/ojc/330631

年份:

2017

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