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

Abstract

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.

2,5,6-Trisubstituted N-Methylindoles from Site-Selective Suzuki-Miyaura Cross-Coupling, Twofold Heck and 6π-Electrocyclization-Dehydrogenation Reactions of 2,3,5-Tribromo-N-methylpyrrole

“…Indole derivatives are found in many natural, synthetic, agrochemical and pharmaceutical compounds. 1 Indole derivatives influence the neurotransmitter serotonin, 2 act as hallucinogen agents, 3 potent PPAR-c binding agents with potential application for the treatment of osteoporosis, 4 neuroprotective agents affecting oxidative stress, 5 potent anti-inflammatory agents, 6 and antimicrobial agents. 7 Indoles constitute a privileged scaffold capable of providing useful ligands for diverse receptors.…”