ANTI-FUNGAL AND 3D-QSAR STUDIES FOR SOME PYRAZOLONES

Abstract

 3 Descriptor quantitative structure and activity relationship (3d-QSAR) studies for a series of pyrazolone compounds using their semi-empirical quantum chemically derived descriptors and their laboratory reported activities against pathogen viz.  Colletotrichum falcatum (ITCC 6656) have been carried out and reported in this present paper. Graphs between observed and predicted activities, both in the terms of p(MIC)cal and p(MIC) obs. viz.-log (MIC) are reported. This is concluded on the basis of these graphs that some of the descriptors computed and taken into account in the present paper have positive contribution towards the activities. The method has been proved to be useful tool for such type of studies.