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 &alpha;iIb&beta;3

Krysko Andrei; Samoylenko Georgiy; Polishchuk Pavel; Fonari Marina; Kravtsov Victor; Andronati Sergei; Kabanova Tatyana; Lipkowski Janusz; Khristova Tetiana; Kuz’min V.; Kabanov Vladimir; Krysko Olga; Varnek Alexandre

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SM ISO690:2012

KRYSKO, Andrei, SAMOYLENKO, Georgiy, POLISHCHUK, Pavel, FONARI, Marina, KRAVTSOV, Victor, ANDRONATI, Sergei, KABANOVA, Tatyana, LIPKOWSKI, Janusz, KHRISTOVA, Tetiana, KUZ’MIN, V., KABANOV, Vladimir, KRYSKO, Olga, VARNEK, Alexandre. 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. In: Bioorganic and Medicinal Chemistry, 2013, vol. 21, pp. 4646-4661. ISSN 0968-0896. DOI: https://doi.org/10.1016/j.bmc.2013.05.019

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Bioorganic and Medicinal Chemistry

Volumul 21 / 2013 / ISSN 0968-0896 /ISSNe 1464-3391

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 α_iIbβ₃

DOI:https://doi.org/10.1016/j.bmc.2013.05.019

Pag. 4646-4661

Krysko Andrei¹, Samoylenko Georgiy¹, Polishchuk Pavel¹², Fonari Marina³, Kravtsov Victor³, Andronati Sergei¹, Kabanova Tatyana¹, Lipkowski Janusz⁴, Khristova Tetiana¹², Kuz’min V.¹, Kabanov Vladimir¹, Krysko Olga¹, Varnek Alexandre²

¹ A.V. Bogatsky Physico-Chemical Institute of the NAS of Ukraine,
² University of Strasbourg,
³ Institute of Applied Physics, Academy of Sciences of Moldova,
⁴ Institute of Physical Chemistry of the Polish Academy of Sciences, Polonia

Disponibil în IBN: 14 iulie 2023

Rezumat

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 α_IIbβ₃. Molecular docking of RGD mimetics to α_IIbβ₃ 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

Cuvinte-cheie
αIIbβ3, Fibrinogen receptor antagonists, Phthalimidine, Platelet aggregation, RGD mimetics