Acta Pharm. 50 (2000) 329-338
QSAR studies on anti-inflammatory activities of a series of 4,5-diarylpyrroles have been made to identify the molecular parameters necessary and universally useful for the study. The study has indicated that the potential molecular descriptors for QSAR modelling are molecular redundancy index (MRI), van der Waals volume (Vw) and equalized electronegativity (Xeq). It was observed that introduction of indicator parameter was necessary to obtain good results. Such an effort will facilitate the discovery and development of selective and safer nonsteroidal anti-inflammatory drugs.
Keywords: 4,5-diarylpyrroles, QSAR, molecular redundancy index, equalized electronegativity, van der Waals volume