Inhibitors of HIV-1 Integrase-Human LEDGF/p75 Interaction Identified from Natural Products via Virtual Screening

查看全文 作　　者：Hu [1]Guoping;Li [1]xi;Li [1]Yaozong;Sun [1]Xianqiang;Liu [1]Guixia;Li [1]Weihua;Huang [1]Jin;Shen [2]Xu;Tang [1]Yun 机构地区：[1]Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai 20023 7, China;[2]State Key Laboratory of Drug Research, Shanghai Institute ofMateria Medica, Chinese Academy of Sciences, Shanghai 201203, China 出　　处：《Chinese Journal of Chemistry》索引2012年第30卷第12期,共7页 基　　金：supported by the Program for New Century Excellent Talents in University (No. NCET-08-0774), the Innovation Program of Shanghai Municipal Education Commission (No. 10ZZ41), the National Natural Science Foundation of China (No. 21072059), and the Shanghai Committee of Science and Technology (No. 11DZ2260600). We thank the National Compound Resource Center for providing compounds. The cDNA coding for HIV IN CCD (residues 50-212) including the F185K solubilizing-mutation was a gift from Prof. Robert Craigie (National Institutes of Health, Bethesda, MD). The full-length plasmid pCPNat p75 was kindly provided by Prof. Zeger De- byser (Katholieke Universiteit Leuven, Belgium). 摘　　要：HIV-1 integrase (在里面) 进主人染色体的病毒的 DNA 的调停的集成是在病毒生命周期的必要的步。导出上皮的生长因素(LEDGF/p75 ) 被发现了在这个过程作为一个细胞的余因子工作的人的透镜。LEDGF/p75-IN 相互作用因此为 anti-HIV 治疗代表一个吸引人的目标。在这研究,自然产品几乎对 HIV-1 的 LEDGF/p75 有约束力的衣袋被屏蔽在里面。24 混合物从中国的国家复合资源中心被选择并且获得。AlphaScreen 试金作为有势力 LEDGF/p75-IN 相互作用禁止者描绘了这 24 个自然产品中的 8 个。其 IC50 珍视的活跃混合物从 0.56 ~ 14.55 汯晹畬牯慯祲慬整 ? 牁汹捡瑥瑡獥瘠慩嘠华牁匭?? 敒捡楴湯吗? 关 键 词：HIV-1整合酶 DNA整合 天然产物 抑制剂 虚拟筛选 晶状体上皮细胞 活性化合物 交互