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

Bioorg Med Chem Lett. 2016 Apr 1;26(7):1839-43. doi: 10.1016/j.bmcl.2016.02.011.

Andrei A Krysko ¹, Alexander Yu Kornylov ², Pavel G Polishchuk ³, Georgiy V Samoylenko ², Olga L Krysko ², Tatyana A Kabanova ², Victor Ch Kravtsov ⁴, Vladimir M Kabanov ², Barbara Wicher ⁵, Sergei A Andronati ²

Affiliations

1 A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine, Lustdorfskaya doroga 86, Odessa 65080, Ukraine. Electronic address: peptides@physchem.od.ua.
2 A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine, Lustdorfskaya doroga 86, Odessa 65080, Ukraine.
3 Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacký University and University Hospital in Olomouc, Hněvotínská 1333/5, Olomouc 77900, Czech Republic.
4 Institute of Applied Physics, Academy of Sciences of Moldova, Academiei 5, Chisinau 2028, Republic of Moldova.
5 Department of Chemical Technology of Drugs, Poznan University of Medical Sciences, Grunwaldzka 6, 60-780 Poznan, Poland.

PMID: 26912112 DOI: 10.1016/j.bmcl.2016.02.011

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.

Keywords

2-Piperazin-1-yl-quinazoline; Fibrinogen receptor antagonists; Platelet aggregation; α(IIb)β(3).

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