Elucidation of a common structure of selective fibrinogen receptor antagonists

作者: Hervé Minoux , Nicolas Moitessier , Yves Chapleur , Bernard Maigret

DOI: 10.1023/A:1008024924329

关键词: Platelet aggregation inhibitorBiochemistryIntegrinRecognition sequenceFibrinogen receptorFibrinogen-gamma chainPlatelet Glycoprotein GPIIb-IIIa ComplexPeptide sequenceChemistryOligopeptide

摘要: In this paper, we investigate the common structural and electrostatic parameters of a series specific inhibitors alpha IIb beta 3 integrin. Molecular dynamics simulations with an explicit aqueous environment led to original theoretical pattern. Our results may suggest that studied non-peptide antagonists developed upon Arg-Gly-Asp ubiquitous recognition sequence, in fact, should mimic C-terminus part fibrinogen gamma chain. This assumption could, therefore, explain their specificity respect other Arg-Gly-Asp-dependent integrins.

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