Synthesis, biological evaluation and molecular docking studies of 2-piperazin-1-yl-quinazolines as platelet aggregation inhibitors and ligands of integrin αIIbβ3

A series of 2-piperazin-1-yl-quinazolines were synthesized and evaluated for their antiaggregative activity. The synthesized small molecule compounds have potently inhibited platelet aggregation in vitro and blocked FITC-Fg binding to αIIbβ3 integrin in a suspension of washed human platelets. The key αIIbβ3 protein–ligand interactions were determined in docking experiments and some correlations have been observed between values of the affinity and docking scores.

Graphical abstractThis work reports the synthesis and biological activity of 2-piperazin-1-yl-quinazolines. Molecular docking of ligand–αIIbβ3 complexes showed the key interactions.Figure optionsDownload full-size imageDownload as PowerPoint slide