QSAR MODELING FOR INHIBITORY ACTIVITY OF NON-PEPTIDE HIV-1 PROTEASE INHIBITORS: A MLR APPROACH
Mithlesh Kumar Dwivedi, Purushottam Das Soni, Shailaja Sachan*, Santosh Tiwari
ABSTRACT
The multiple linear regression (MLR) methods were used to develop
quantitative structure activity relationships (QSAR) models for
inhibitory activity of non-peptide HIV-1 protease inhibitors. The
results revealed the significant roles of topological, geometrical and
substituent electronic descriptor parameters on the inhibitory activity
of non-peptide HIV-I protease inhibitors of the studied molecules. The
most significant quantitative structure activity relationship model,
obtained by MLR could explain and predict 80% of variance in the
pIC50 data, respectively.
Keywords: QSAR, MLR, pIC50.
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