Synthesis, SAR and in vitro evaluation of new cyclic Arg-Gly-Asp pseudopentapeptides containing a s-cis peptide bond as integrin αvβ3 and αvβ5 ligands

MD simulation of new Arg-Gly-Asp ligand/αvβ 3 complexes showed the key role played by a bridging water molecule in the ligand-protein interaction.