А.А. Alekseev - Post-graduate Student, the Laboratory of Bioactive Compounds of Institute of Pharmacy of Sechenov First Moscow State Medical University, Moscow. E-mail: alexeevalexei1991@mail.ru
M.I. Brylev - Assistant, the Laboratory of Bioactive Compounds of Institute of Pharmacy of Sechenov First Moscow State Medical University, Moscow. E-mail: thebryleff@gmail.com
V.L. Korolev - Ph.D.(Chem.), Leading Research Scientist, the Laboratory of Bioactive Compounds of Institute of Pharmacy of Sechenov First Moscow State Medical University, Moscow. E-mail: wlkor@mail.ru
D.S. Lotorev - Ph.D.(Chem.), Leading Research Scientist, the Laboratory of Bioactive Compounds of Institute of Pharmacy of Sechenov First Moscow State Medical University, Moscow. E-mail: demon-l@yandex.ru
А.Yu. Lizunov - Senior Lecturer, Department of Mathematics of Moscow Institute of Physics and Technology (State University), Dolgoprydny. E-mail: alexeevalexei1991@mail.ru
Е.А. Batuev - Post-graduate Student, Department of Organic Chemistry of Lomonosov Moscow State University. E-mail: alexeevalexei1991@mail.ru
L.А. Pavlova - Ph.D.(Pharm.), Head of The Laboratory of Bioactive Compounds of Institute of Pharmacy of Sechenov First Moscow State Medical University, Moscow. E-mail: l-a-pavlova@yandex.ru

Cardiovascular diseases consistently occupy the first place among causes of death and disability in almost all developed countries. The main importance of this group of diseases have myocardial infarction. One of the causes of myocardial infarction is the formation of a blood clot. Well known that platelet aggregation is due to the binding of fibrinogen to GPIIb/IIIa receptors. Mathematical modeling are widely used during the development of modern drugs. Modeling the interaction of the protein integrin αIIb/β3 with peptides - potential inhibitors of the platelet integrin receptor - was performed using software «Algokomb», modified to account the internal non-covalent interactions of the ligand and the accounting of water molecules in the binding site. The modeled compounds have been made by solid-phase method of the strategy FastMoc 0.25 using the automatic peptide synthesizer ABI 433A Peptide Synthesizer (AppliedBiosystems, USA). The purification has done by preparative chromatography. The structure of the compounds has been confirmed by LCMS, 1H NMR and 1Н/1Н (COSY, NOESY) NMR. The evaluation of the specificity of the synthesized compound has been made in vitro and has showed dose-dependent reduction of ADP-induced platelet aggregation. IC50 of Arg-Tyr-Gly-Asp-Arg (RYGDR) is 14.6 µM.