MOLECULAR MODELING, SYNTHESIS AND EVALUATION OF THE BIOLOGICAL ACTIVITYOF NEW GLYCOPROTEIN IIB/IIIA (GPIIB/IIIA) RECEPTOR ANTAGONISTS
We applied software «Algokomb» to perform mathematical modeling of polypeptide molecules of glycoprotein IIb/IIIa (gpIIb/IIIa)
receptor antagonists. The modeled compounds have been synthesized accordingly to the protocol of strategy FastMoc 0.25. The structure of
the compounds has been confirmed by LCMS, 1H NMR and 1Н/1Н (COSY, NOESY) NMR methods. The evaluation of the specificity of the
synthesized compounds has been made in vitro and has shown dose-dependent reduction of ADP-induced platelet aggregation.
Keywords:
molecular modeling, platelet GPIIb/IIIa receptors, peptides, synthesis, platelet aggregation, inhibition