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Andrei A. Krysko 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 《Bioorganic & medicinal chemistry》2013,21(15):4646-4661
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. 相似文献
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Krysko AA Samoylenko GV Polishchuk PG Andronati SA Kabanova TA Khristova TM Kuz'min VE Kabanov VM Krysko OL Varnek AA Grygorash RY 《Bioorganic & medicinal chemistry letters》2011,21(19):5971-5974
The novel RGD mimetics with phthalimidine central fragment were synthesized with the use of 4-piperidine-4-yl-butyric, 4-piperidine-4-yl-benzoic, 4-piperazine-4-yl-benzoic and 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acids as surrogates of Arg motif. The synthesized compounds potently inhibited platelet aggregation in vitro and blocked FITC-Fg binding to α(IIb)β(3) integrin in a suspension of washed human platelets. The key α(IIb)β(3) protein-ligand interactions were determined in docking experiments. 相似文献
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