机译:确定旧药物可作为HIV-1整合酶的潜在抑制剂–通过分子对接的人类LEDGF / p75相互作用
Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China;
Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China;
Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China;
Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China;
Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China;
Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China;
State Key Laboratory of Drug Research, Shanghai Institute of Materia Medic;
Drug repositioning; HIV-1 Integrase; Human LEDGF/p75 protein; Molecular docking; Protein-protein interaction;
机译:鉴定可作为HIV-1整合酶潜在抑制剂的旧药-通过分子对接的人类LEDGF / p75相互作用
机译:通过基于结构的虚拟筛选和生物测定法发现阻断HIV-1整合酶与人类LEDGF / p75相互作用的抑制剂
机译:通过分子动力学模拟和自由能计算,了解HIV-1整合酶与人类LEDGF / p75之间的相互作用。
机译:在计算机模拟下发现模仿bNAb N6的潜在HIV-1进入抑制剂:虚拟筛选,对接,分子动力学和分子后建模分析
机译:设计和发现抑制细胞LEDGF / p75和HIV-1整合酶相互作用的小分子。
机译:的HIV-1整合酶LEDGF / p75相互作用的8-羟基喹啉抑制剂片段为基础的发现
机译:鉴定和评估靶向HIV-1整合酶-LEDGF / p75相互作用的抑制剂