Karginov Vladimir A, Nestorovich Ekaterina M, Schmidtmann Frank, Robinson Tanisha M, Yohannes Adiamseged, Fahmi Nour Eddine, Bezrukov Sergey M, Hecht Sidney M
Innovative Biologics, Inc., 10900 University Blvd., MSN 1A8, Manassas, VA 20110, USA.
Bioorg Med Chem. 2007 Aug 15;15(16):5424-31. doi: 10.1016/j.bmc.2007.05.058. Epub 2007 May 26.
Many pathogens utilize the formation of transmembrane pores in target cells in the process of infection. A great number of pore-forming proteins, both bacterial and viral, are considered to be important virulence factors, which makes them attractive targets for the discovery of new therapeutic agents. Our research is based on the idea that compounds designed to block the pores can inhibit the action of virulence factors, and that the chances to find high affinity blocking agents increase if they have the same symmetry as the target pore. Recently, we demonstrated that derivatives of beta-cyclodextrin inhibited anthrax lethal toxin (LeTx) action by blocking the transmembrane pore formed by the protective antigen (PA) subunit of the toxin. To test the broader applicability of this approach, we sought beta-cyclodextrin derivatives capable of inhibiting the activity of Staphylococcus aureus alpha-hemolysin (alpha-HL), which is regarded as a major virulence factor playing an important role in staphylococcal infection. We identified several amino acid derivatives of beta-cyclodextrin that inhibited the activity of alpha-HL and LeTx in cell-based assays at low micromolar concentrations. One of the compounds was tested for the ability to block ion conductance through the pores formed by alpha-HL and PA in artificial lipid membranes. We anticipate that this approach can serve as the basis for a structure-directed drug discovery program to find new and effective therapeutics against various pathogens that utilize pore-forming proteins as virulence factors.
许多病原体在感染过程中利用在靶细胞中形成跨膜孔道的方式。大量的成孔蛋白,包括细菌和病毒来源的,都被认为是重要的毒力因子,这使得它们成为发现新型治疗药物的有吸引力的靶点。我们的研究基于这样的理念:设计用于阻断孔道的化合物可以抑制毒力因子的作用,并且如果它们与靶孔具有相同的对称性,那么找到高亲和力阻断剂的机会就会增加。最近,我们证明了β-环糊精衍生物通过阻断由毒素的保护性抗原(PA)亚基形成的跨膜孔道来抑制炭疽致死毒素(LeTx)的作用。为了测试这种方法更广泛的适用性,我们寻找能够抑制金黄色葡萄球菌α-溶血素(α-HL)活性的β-环糊精衍生物,α-HL被认为是在葡萄球菌感染中起重要作用的主要毒力因子。我们鉴定出了几种β-环糊精的氨基酸衍生物,它们在基于细胞的测定中以低微摩尔浓度抑制α-HL和LeTx的活性。其中一种化合物被测试了阻断通过α-HL和PA在人工脂质膜中形成的孔道的离子传导的能力。我们预计这种方法可以作为一个结构导向的药物发现计划的基础,以找到针对各种利用成孔蛋白作为毒力因子的病原体的新型有效治疗方法。