Department of Chemistry and Laboratory for Molecular Simulation, Texas A&M University, Box 30012, College Station, Texas 77842, United States.
J Am Chem Soc. 2011 Aug 17;133(32):12350-3. doi: 10.1021/ja2033734. Epub 2011 Jul 22.
Peptidomimetics 1-3 were prepared from amino acid-derived tetramic acids 7 as the key starting materials. Calculations show that preferred conformations of 1 can align their side-chain vectors with amino acids in common secondary structures more effectively than conformations of 3. A good fit was found for a preferred conformation of 2 (an extended derivative of 1) with a sheet/β-turn/sheet motif.
肽模拟物 1-3 是从氨基酸衍生的四氢酸 7 作为关键起始材料制备的。计算表明，1 的优势构象可以更有效地将其侧链矢量与常见二级结构中的氨基酸对齐，而 3 的构象则不然。2（1 的扩展衍生物）的一个优势构象与片层/β-转角/片层基序吻合得很好。
