Suppr超能文献

在假对称二肽类似物中,将恶唑烷酮作为P2/P2'配体的HIV-1蛋白酶抑制剂的设计与合成。

Design and synthesis of HIV-1 protease inhibitors incorporating oxazolidinones as P2/P2' ligands in pseudosymmetric dipeptide isosteres.

作者信息

Reddy G S Kiran Kumar, Ali Akbar, Nalam Madhavi N L, Anjum Saima Ghafoor, Cao Hong, Nathans Robin S, Schiffer Celia A, Rana Tariq M

机构信息

Chemical Biology Program and Department of Biochemistry and Molecular Pharmacology, University of Massachusetts Medical School, Worcester, Massachusetts 01605, USA.

出版信息

J Med Chem. 2007 Sep 6;50(18):4316-28. doi: 10.1021/jm070284z. Epub 2007 Aug 16.

Abstract

A series of novel HIV-1 protease inhibitors based on two pseudosymmetric dipeptide isosteres have been synthesized and evaluated. The inhibitors were designed by incorporating N-phenyloxazolidinone-5-carboxamides into the hydroxyethylene and (hydroxyethyl)hydrazine dipeptide isosteres as P2 and P2' ligands. Compounds with (S)-phenyloxazolidinones attached at a position proximal to the central hydroxyl group showed low nM inhibitory activities against wild-type HIV-1 protease. Selected compounds were further evaluated for their inhibitory activities against a panel of multidrug-resistant protease variants and for their antiviral potencies in MT-4 cells. The crystal structures of lopinavir (LPV) and two new inhibitors containing phenyloxazolidinone-based ligands in complex with wild-type HIV-1 protease have been determined. A comparison of the inhibitor-protease structures with the LPV-protease structure provides valuable insight into the binding mode of the new inhibitors to the protease enzyme. Based on the crystal structures and knowledge of structure-activity relationships, new inhibitors can be designed with enhanced enzyme inhibitory and antiviral potencies.

摘要

基于两种伪对称二肽类似物合成并评估了一系列新型HIV-1蛋白酶抑制剂。这些抑制剂是通过将N-苯基恶唑烷酮-5-羧酰胺作为P2和P2'配体引入到羟乙烯和(羟乙基)肼二肽类似物中而设计的。在靠近中心羟基的位置连接有(S)-苯基恶唑烷酮的化合物对野生型HIV-1蛋白酶表现出低纳摩尔级的抑制活性。对选定的化合物进一步评估了它们对一组多药耐药蛋白酶变体的抑制活性以及它们在MT-4细胞中的抗病毒效力。已确定洛匹那韦(LPV)以及两种含有基于苯基恶唑烷酮配体的新型抑制剂与野生型HIV-1蛋白酶复合物的晶体结构。将抑制剂-蛋白酶结构与LPV-蛋白酶结构进行比较,为新抑制剂与蛋白酶的结合模式提供了有价值的见解。基于晶体结构和构效关系知识,可以设计出具有增强酶抑制和抗病毒效力的新抑制剂。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验