Computer-assisted design of cyclic peptides and peptidomimetics

Head-to-tail cyclic peptides and peptidomimetics are highly promising drug molecules that appear to lack many of the liabilities typically attributed to linear peptides. Here we look at some successful examples of this approach to ligand design and examine the prospects for using computer-assisted methodologies in the design of new ligands. This approach requires robust methods of peptide conformational analysis and superimposition. Once validated, researchers can use these methods to screen a wealth of potential templating amino acids or other groups to specifically tailor new bioactive cyclic peptidomimetics.