Elucidation of a common structure of selective fibrinogen receptor antagonists

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