QSAR Study of Substituted Anthracenones Derivatives as Inhibitors of 12-Lipoxygenase Enzymes

Abstract

Selective 5-LO enzyme and 12-LO enzyme inhibitors have attracted much attention in recent times in the design of novel anthracenone derivatives, which may be used in cancer and psoriasis. QSAR studies have been done by include a series of 2-arylalkyl substituted anthracenone derivatives having inhibitory action on 12-LO isoforms in epidermal homogenate of mice, bovine platelets and porcine leukocyte by using Openstate 4 version 6.5.1 statistical software. The studies were carried out on 21 analogs. These studies produced good predictive models and give statistically significant correlations with selective 12-LO enzyme inhibition. When available 12-LO enzyme inhibitory data were analyzed, descriptor hydrophobic, F, Ha, σ_m gave statistically significant results.