Abstract
QSAR STUDIES AND INHIBITION OF PNEUMOCYSTIS CARINII DIHYDROPTEROATE SYNTHETASE BY SULFONAMIDES

Neha Yadav, Shailja Sachan* and Vijay K. Agrawal

ABSTRACT

Sulfanilamide sulfa drugs have been shown to inhibit dihydropteroate synthetase (DHPS) isolated from Pneumocystis carinii. In order to develop a pharmacophoric model for this inhibition, quantitative structure-activity relationships (QSAR) for sulfa drugs active against DHPS have been studied by regression analysis which is done with topological indices, later inhibitory activity is correlated with topological properties. QSAR studies of the sulfonamides is attempted using the Wiener Index (w), Balaban index, connectivity indices, χeq and indicator parameters. The regression analysis of the data employing the multiple regression analysis has indicated that Wiener index and zero order connectivity index are most suitable indexes for this purpose.

Keywords: QSAR, sulfonamides, DHPS.


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