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

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

Bioorganic & medicinal chemistry letters (2016-02-26)
Andrei A Krysko, Alexander Yu Kornylov, Pavel G Polishchuk, Georgiy V Samoylenko, Olga L Krysko, Tatyana A Kabanova, Victor Ch Kravtsov, Vladimir M Kabanov, Barbara Wicher, Sergei A Andronati
PMID26912112
ABSTRACT

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.