Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition.

@article{Geronikaki2008ComputeraidedDO,
  title={Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition.},
  author={Athina A Geronikaki and Alexey A Lagunin and Dimitra I Hadjipavlou-Litina and Phaedra Th. Eleftheriou and Dmitrii A Filimonov and Vladimir V Poroikov and Intekhab Alam and Anil K. Saxena},
  journal={Journal of medicinal chemistry},
  year={2008},
  volume={51 6},
  pages={1601-9}
}
New anti-inflammatory agents possessing dual cyclooxygenase/lipoxygenase (COX/LOX) inhibition were discovered by computer-aided prediction of biological activity for 573 virtually designed chemical compounds. Prediction of biological activity was performed by PASS, and prediction results were analyzed with PharmaExpert software. Nine 2-(thiazole-2-ylamino)-5-phenylidene-4-thiazolidinone derivatives differing by the phenyl group substitution were selected for synthesis and experimental testing… CONTINUE READING