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Title: QSAR studies on cis-hexa and tetra-hydrophthalazinones: A new class of selective PDE-4 inhibitors
Authors: Lakshmi, M
Dixit, Anshuman
Saxena, Anil K
Issue Date: Jan-2006
Publisher: NISCAIR-CSIR, India
Abstract: Quantitative structure activity relationship studies have been carried out on cis-hexa and tetra-hydrophthalazinones, a new class of selective PDE-4 inhibitors. The 78 compounds analyzed were divided into a training set of 62 and test set of 15 molecules (excluding one compound) each describing a similar range of biological activity. Among several 2D and 3D parameters. the molar refractivity, dielectric energy and structural parameters as indicator variables (I1, I2, I3) best describe the variation in PDE-4 inhibitory activity in the training set with high correlation(r=>0.9) of >99% significance. These equations also show a good test set prediction (r>0.8) and thus may be useful in designing new potential PDE4 inhibitors.
Page(s): 34-44
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections: IJC-A Vol.45A(01) [January 2006]

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