基于结构的肽模拟物 SARS-CoV 3CLpro 抑制剂的设计、合成及生物学评价
Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors.
作者信息
Ghosh Arun K, Xi Kai, Grum-Tokars Valerie, Xu Xiaoming, Ratia Kiira, Fu Wentao, Houser Katherine V, Baker Susan C, Johnson Michael E, Mesecar Andrew D
机构信息
Departments of Chemistry and Medicinal Chemistry, Purdue University, West Lafayette, IN 47907, USA.
出版信息
Bioorg Med Chem Lett. 2007 Nov 1;17(21):5876-80. doi: 10.1016/j.bmcl.2007.08.031. Epub 2007 Aug 19.
Structure-based design, synthesis, and biological evaluation of a series of peptidomimetic severe acute respiratory syndrome-coronavirus chymotrypsin-like protease inhibitors are described. These inhibitors were designed and synthesized based upon our X-ray crystal structure of inhibitor 1 bound to SARS-CoV 3CLpro. Incorporation of Boc-Ser as the P(4)-ligand resulted in enhanced SARS-CoV 3CLpro inhibitory activity. Structural analysis of the inhibitor-bound X-ray structure revealed high binding affinity toward the enzyme.
描述了一系列肽模拟物严重急性呼吸综合征冠状病毒胰凝乳蛋白酶样蛋白酶抑制剂的基于结构的设计、合成及生物学评价。这些抑制剂是根据我们获得的与严重急性呼吸综合征冠状病毒3C样蛋白酶（SARS-CoV 3CLpro）结合的抑制剂1的X射线晶体结构设计并合成的。引入Boc-Ser作为P(4)配体可增强对SARS-CoV 3CLpro的抑制活性。对抑制剂结合的X射线结构进行的结构分析揭示了其对该酶具有高结合亲和力。
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