Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design

Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design Descriptor: 1,2-ETHANEDIOL, 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ... Authors: Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C, Deadman, J.J. Deposit date: 2011-07-01 Release date: 2012-07-18 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design Plos One, 7, 2012

通过片段筛选与基于结构的药物设计发现的1型人类免疫缺陷病毒（HIV type 1）整合酶LEDGF结合位点小分子抑制剂
描述符：1,2-乙二醇（1,2-ETHANEDIOL）、5-[(E)-(2-氧代-2,3-二氢-1H-茚-1-亚基甲基]-1,3-苯并二氧杂环戊烯-4-羧酸（1,3-BENZODIOXOLE-4-CARBOXYLIC ACID）、乙酸（ACETIC ACID）……
作者：Peat, T.S、Newman, J、Rhodes, D.I、Vandergraaff, N、Le, G、Jones, E.D、Smith, J.A、Coates, J.A.V、Thienthong, N、Dolezal, O、Ryan, J.H、Savage, G.P、Francis, C、Deadman, J.J.
提交日期：2011-07-01
发布日期：2012-07-18
最后修改日期：2023-12-20
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.2 Å
引用文献：通过片段筛选与基于结构的药物设计发现的人类免疫缺陷病毒整合酶LEDGF结合位点小分子抑制剂，PLOS ONE，第7卷，2012年