Related Experiment Video
Updated: Jul 9, 2026
Structure-Guided Design and Development of Novel Cyclophilin A Inhibitors and Ganoderiol-F Derivatives: An In-Silico Approach
Published on: June 23, 2026
Conception of myeloperoxidase inhibitors derived from flufenamic acid by computational docking and structure
Pierre Van Antwerpen1, Martine Prévost, Karim Zouaoui-Boudjeltia
1Laboratory of Pharmaceutical Organic Chemistry, Institut de Pharmacie, Université Libre de Bruxelles, 1050 Brussels, Belgium.
Abstract:
The development of myeloperoxidase (MPO) inhibitors has been conducted using flufenamic acid as a lead compound. Computational docking of the drug and its analogs in the MPO active site was first attempted. Several molecules were then synthesized and assessed using three procedures for the measurement of their inhibiting activity: (i) the taurine assay, (ii) the accumulation of compound II, and (iii) the LDL oxidation by ELISA. Most of the synthesized molecules had an activity in the same range as flufenamic acid but none of them were able to inhibit the MPO-dependent LDL oxidation. The experiments however gave some useful indications for a rational conception of MPO inhibitors.
