QSAR analysis of 2-sulfonylphenyl-3-phenyl-indole derivatives as novel anti-inflammatory compounds

摘要

The systematic variation of substituents around the indole ring has led to the exploration of a large number of potent anti-inflammatory agents with minimum adverse effects. Hence, a new series of diaryl heterocycles, i.e., substituted 2-sulfonylphenyl-3-phenyl-indole derivatives, was selected and subjected to quantitative structure-activity relationship (QSAR) analysis. Different statistically significant models were obtained with an electronic descriptor highest occupied molecular orbital (HOMO) and a steric descriptor shape coefficient.