合成新的维拉帕米类似物，并与利福平联合评估其对结核分枝杆菌的作用，以及在流出蛋白 Rv1258c 结合部位的分子对接研究。
Synthesis of new verapamil analogues and their evaluation in combination with rifampicin against Mycobacterium tuberculosis and molecular docking studies in the binding site of efflux protein Rv1258c.
机构信息
Department of Chemistry, University of Cape Town, Rondebosch 7701, South Africa; South African Medical Research Council Drug Discovery and Development Research Unit, University of Cape Town, Rondebosch 7701, South Africa.
MRC/NHLS/UCT Molecular Mycobacteriology Research Unit, Division of Medical Microbiology, University of Cape Town, Rondebosch 7701, South Africa.
出版信息
Bioorg Med Chem Lett. 2014 Jul 15;24(14):2985-90. doi: 10.1016/j.bmcl.2014.05.022. Epub 2014 May 16.
New verapamil analogues were synthesized and their inhibitory activities against Mycobacterium tuberculosis H37Rv determined in vitro alone and in combination with rifampicin (RIF). Some analogues showed comparable activity to verapamil and exhibited better synergies with RIF. Molecular docking studies of the binding sites of Rv1258c, a M. tuberculosis efflux protein previously implicated in intrinsic resistance to RIF, suggested a potential rationale for the superior synergistic interactions observed with some analogues.
合成了新的维拉帕米类似物，并在体外单独和与利福平（RIF）联合测定了它们对结核分枝杆菌 H37Rv 的抑制活性。一些类似物显示出与维拉帕米相当的活性，并与 RIF 表现出更好的协同作用。先前与 RIF 固有耐药性相关的结核分枝杆菌外排蛋白 Rv1258c 的结合部位的分子对接研究表明，一些类似物观察到的优越协同相互作用具有潜在的合理依据。
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