title: Protein-protein interface mimicry by an oxazoline piperidine-2,4-dione.
abstract: Representative minimalist mimics 1 were prepared from amino acids. Scaffold 1 was not designed to mimic any particular secondary structure, but simulated accessible conformations of this material were compared with common ideal secondary structures and with >125,000 different protein-protein interaction (PPI) interfaces. This data mining exercise indicates that scaffolds 1 can mimic features of sheet-turn-sheets, somewhat fewer helical motifs, and numerous PPI interface regions that do not resemble any particular secondary structure.
authors.affiliation: Key Laboratory of Chemistry and Biology of Natural Product of Ministry of Education, School of Pharmaceutical Sciences, Shandong University , WenHuaXi Road No 44, Ji'nan 250012, P. R. China.
authors.forename: Xun
authors.initials: X
authors.lastname: Li
authors.forename: Jaru
authors.initials: J
authors.lastname: Taechalertpaisarn
authors.forename: Dongyue
authors.initials: D
authors.lastname: Xin
authors.forename: Kevin
authors.initials: K
authors.lastname: Burgess
mesh_terms: D000596:Amino Acids / Q000737:chemistry; D018360:Crystallography, X-Ray; D018716:Molecular Mimicry; D015394:Molecular Structure; D010080:Oxazoles / Q000737:chemistry*; D010881:Piperidones / Q000737:chemistry*; D011487:Protein Conformation; D017433:Protein Structure, Secondary; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism
chemical_list: D000596:Amino Acids; D010080:Oxazoles; D010881:Piperidones; D011506:Proteins