title: Synthesis, biological evaluation and molecular docking studies of 2-piperazin-1-yl-quinazolines as platelet aggregation inhibitors and ligands of integrin αIIbβ3.
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.
authors.affiliation: 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.
authors.forename: Andrei A
authors.initials: AA
authors.lastname: Krysko
authors.affiliation: A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine, Lustdorfskaya doroga 86, Odessa 65080, Ukraine.
authors.forename: Alexander Yu
authors.initials: AY
authors.lastname: Kornylov
authors.affiliation: 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.
authors.forename: Pavel G
authors.initials: PG
authors.lastname: Polishchuk
authors.affiliation: A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine, Lustdorfskaya doroga 86, Odessa 65080, Ukraine.
authors.forename: Georgiy V
authors.initials: GV
authors.lastname: Samoylenko
authors.affiliation: A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine, Lustdorfskaya doroga 86, Odessa 65080, Ukraine.
authors.forename: Olga L
authors.initials: OL
authors.lastname: Krysko
authors.affiliation: A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine, Lustdorfskaya doroga 86, Odessa 65080, Ukraine.
authors.forename: Tatyana A
authors.initials: TA
authors.lastname: Kabanova
authors.affiliation: Institute of Applied Physics, Academy of Sciences of Moldova, Academiei 5, Chisinau 2028, Republic of Moldova.
authors.forename: Victor Ch
authors.initials: VCh
authors.lastname: Kravtsov
authors.affiliation: A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine, Lustdorfskaya doroga 86, Odessa 65080, Ukraine.
authors.forename: Vladimir M
authors.initials: VM
authors.lastname: Kabanov
authors.affiliation: Department of Chemical Technology of Drugs, Poznan University of Medical Sciences, Grunwaldzka 6, 60-780 Poznan, Poland.
authors.forename: Barbara
authors.initials: B
authors.lastname: Wicher
authors.affiliation: A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine, Lustdorfskaya doroga 86, Odessa 65080, Ukraine.
authors.forename: Sergei A
authors.initials: SA
authors.lastname: Andronati
mesh_terms: D001792:Blood Platelets / Q000166:cytology / Q000187:drug effects* / Q000378:metabolism; D006801:Humans; D008024:Ligands; D062105:Molecular Docking Simulation; D010879:Piperazines / Q000737:chemistry / Q000494:pharmacology; D010974:Platelet Aggregation / Q000187:drug effects; D010975:Platelet Aggregation Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D019039:Platelet Glycoprotein GPIIb-IIIa Complex / Q000378:metabolism*; D011799:Quinazolines / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: D008024:Ligands; D010879:Piperazines; D010975:Platelet Aggregation Inhibitors; D019039:Platelet Glycoprotein GPIIb-IIIa Complex; D011799:Quinazolines
keywords: 2-Piperazin-1-yl-quinazoline; Fibrinogen receptor antagonists; Platelet aggregation; α(IIb)β(3)