2. Academic Validation
  3. Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrin αIIbβ₃

Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrin αIIbβ₃

  • Bioorg Med Chem. 2013 Aug 1;21(15):4646-61. doi: 10.1016/j.bmc.2013.05.019.
Andrei A Krysko 1,  Georgiy V Samoylenko,  Pavel G Polishchuk,  Marina S Fonari,  Victor Ch Kravtsov,  Sergei A Andronati,  Tatyana A Kabanova,  Janusz Lipkowski,  Tetiana M Khristova,  Victor E Kuz'min,  Vladimir M Kabanov,  Olga L Krysko,  Alexandre A Varnek
Affiliations

Affiliation

  • 1 A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine, Lustdorfskaya Doroga 86, Odessa 65080, Ukraine. peptides@paco.net
PMID: 23757209 DOI: 10.1016/j.bmc.2013.05.019
Abstract

A series of novel RGD mimetics containing phthalimidine fragment was designed and synthesized. Their antiaggregative activity determined by Born's method was shown to be due to inhibition of fibrinogen binding to αIIbβ₃. Molecular docking of RGD mimetics to αIIbβ₃ receptor showed the key interactions in this complex, and also some correlations have been observed between values of biological activity and docking scores. The single crystal X-ray data were obtained for five mimetics.

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