Synthesis, biological evaluation and molecular docking studies of 2-piperazin-1-yl-quinazolines as platelet aggregation inhibitors and ligands of integrin αIIbβ3
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KRYSKO, Andrei, KORNYLOV, Alexander Yu., POLISHCHUK, Pavel, SAMOYLENKO, Georgiy, KRYSKO, Olga, KABANOVA, Tatyana, KRAVTSOV, Victor, KABANOV, Vladimir, WICHER, Barbara, ANDRONATI, Sergei. Synthesis, biological evaluation and molecular docking studies of 2-piperazin-1-yl-quinazolines as platelet aggregation inhibitors and ligands of integrin αIIbβ3. In: Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, pp. 1839-1843. ISSN 0960-894X. DOI: https://doi.org/10.1016/j.bmcl.2016.02.011
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Bioorganic and Medicinal Chemistry Letters
Volumul 26 / 2016 / ISSN 0960-894X /ISSNe 1464-3405

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

DOI:https://doi.org/10.1016/j.bmcl.2016.02.011

Pag. 1839-1843

Krysko Andrei1, Kornylov Alexander Yu.2, Polishchuk Pavel3, Samoylenko Georgiy2, Krysko Olga2, Kabanova Tatyana2, Kravtsov Victor4, Kabanov Vladimir2, Wicher Barbara5, Andronati Sergei2
 
1 A.V. Bogatsky Physical-Chemical Institute of NASU,
2 A.V. Bogatsky Physico-Chemical Institute of the NAS of Ukraine,
3 Palacký University Olomouc,
4 Institute of Applied Physics,
5 Poznan University of Medical Sciences
 
 
Disponibil în IBN: 26 noiembrie 2022


Rezumat

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 αIIbβ3integrin in a suspension of washed human platelets. The key αIIbβ3protein–ligand interactions were determined in docking experiments and some correlations have been observed between values of the affinity and docking scores. 

Cuvinte-cheie
2-Piperazin-1-yl-quinazoline, Fibrinogen receptor antagonists, Platelet aggregation, αIIbβ3