作者: Hervé Minoux , Nicolas Moitessier , Yves Chapleur , Bernard Maigret
关键词: Platelet aggregation inhibitor 、 Biochemistry 、 Integrin 、 Recognition sequence 、 Fibrinogen receptor 、 Fibrinogen-gamma chain 、 Platelet Glycoprotein GPIIb-IIIa Complex 、 Peptide sequence 、 Chemistry 、 Oligopeptide
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.