Protein-protein interface mimicry by an oxazoline piperidine-2,4-dione
Xun Li1, Jaru Taechalertpaisarn, Dongyue Xin
1Key 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.
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.
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