Peptide mimetic design

J. R. Damewood, Peptide mimetic design with the aid of computational chemistry in... 

James R. Damewood, Jr., Peptide Mimetic Design with the Aid of Computational Chemistry. 

The main purpose of this section has been to highlight the rapid progress over recent years in studies of ligand-receptor interactions at a molecular level, and the new opportunities that arise for peptide mimetic design. This also emphasizes the need for new approaches and molecular tools in the design of conformationally defined, small molecule peptide and protein mimetics, which is the main topic of the remaining sections in this article. 

Boatman, P.D., Ogbu, C.O., Eguchi, M., Kim, H.O., Nakanishi, H., etal. (1999) Secondary stmcture peptide mimetics Design, synthesis, and evaluation of 3-strand mimetic thrombin inhibitors. J. Med. Oiem. 42 1367-1375. 

One need look no further than some of the recent reviews in peptide mimetic chemistry - to see the substantial impact of computational chemistry on this field. For example, the 1993 Symposium-in-Print edition of Tetrahedron, entitled Peptide Secondary Structure Mimetics, contains 19 articles by practitioners involved in peptide mimetic design. The majority of these articles include references to the use of some form of computational chemistry in the research effort. In addition, as a further indication of the commercial interest, even a recent patent dealt with the computational aspects of peptidomimetic design. 

The reader is reminded that elegant examples of peptide mimetic design have been reported that have not exploited computational methods as part of the discovery process. Several other recent reviews report details of these... 

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