Department of Biology, National Center for Behavioral Genomics, and Volen Center for Complex Systems, Brandeis University, Waltham, MA 02454, United States.
Department of Biology, National Center for Behavioral Genomics, and Volen Center for Complex Systems, Brandeis University, Waltham, MA 02454, United States; Department of Chemistry, Brandeis University, Waltham, MA 02454, United States.
Bioorg Med Chem Lett. 2014 Apr 15;24(8):2002-7. doi: 10.1016/j.bmcl.2014.02.007. Epub 2014 Feb 14.
Metalloproteases regulate a vast array of critical cellular processes such as proliferation, migration, repair, and invasion/metastasis. In so doing, metalloproteases have been shown to play key roles in the pathogenesis of multiple disorders including arteriosclerosis, arthritis, cancer metastasis, and ischemic brain injury. Therefore, much work has focused on developing metalloprotease inhibitors to provide a potential therapeutic benefit against the progression of these and other diseases. In order to produce a more potent inhibitor of metalloproteases, we synthesized multivalent displays of a metalloprotease inhibitor derived from the ring-opening metathesis polymerization (ROMP). Specifically, multivalent ligands of a broad-spectrum metalloprotease inhibitor, TAPI-2, were generated upon conjugation of the amine-bearing inhibitor with the ROMP-derived N-hydroxysuccinimide ester polymer. By monitoring the metalloprotease dependent cleavage of the transmembrane protein Semaphorin4D (Sema4D), we demonstrated an enhancement of inhibition by multivalent TAPI-2 compared to monovalent TAPI-2. To further optimize the potency of the multivalent inhibitor, we systematically varied the polymer length and inhibitor ligand density (mole fraction, χ). We observed that while ligand density plays a modest role in the potency of inhibition caused by the multivalent TAPI-2 display, the length of the polymer produces a much greater effect on inhibitor potency, with the shortest polymer achieving the greatest level of inhibition. These findings validate the use of multivalent display to enhance the potency of metalloprotease inhibitors and further, suggest this may be a useful approach to enhance potency of other small molecule towards their targets.
金属蛋白酶调节着广泛的细胞过程,如增殖、迁移、修复和侵袭/转移。因此,金属蛋白酶在多种疾病的发病机制中发挥着关键作用,包括动脉硬化、关节炎、癌症转移和缺血性脑损伤。因此,许多工作都集中在开发金属蛋白酶抑制剂上,以期为这些疾病和其他疾病的进展提供潜在的治疗益处。为了产生更有效的金属蛋白酶抑制剂,我们合成了源自开环复分解聚合(ROMP)的金属蛋白酶抑制剂的多价展示。具体来说,将带有胺的抑制剂与 ROMP 衍生的 N-羟基琥珀酰亚胺酯聚合物缀合,生成了广谱金属蛋白酶抑制剂 TAPI-2 的多价配体。通过监测跨膜蛋白 Sema4D(Semaphorin4D,Sema4D)的金属蛋白酶依赖性切割,我们证明了多价 TAPI-2 比单价 TAPI-2 更能增强抑制作用。为了进一步优化多价抑制剂的效力,我们系统地改变了聚合物长度和抑制剂配体密度(摩尔分数,χ)。我们观察到,虽然配体密度在多价 TAPI-2 显示的抑制效力中起着适度的作用,但聚合物的长度对抑制剂的效力产生了更大的影响,最短的聚合物达到了最大的抑制水平。这些发现验证了使用多价展示来增强金属蛋白酶抑制剂的效力,并且进一步表明这可能是增强其他小分子对其靶标的效力的有用方法。