Abdelhamid Dalia S, Zhang Yingyue, Lewis Daniel R, Moghe Prabhas V, Welsh William J, Uhrich Kathryn E
Department of Chemistry and Chemical Biology, Rutgers University, NJ, USA.
Department of Chemical and Biochemical Engineering, Rutgers University, NJ, USA.
Biomaterials. 2015 Jun;53:32-9. doi: 10.1016/j.biomaterials.2015.02.038. Epub 2015 Mar 7.
Cardiovascular disease initiates with the atherogenic cascade of scavenger receptor- (SR-) mediated oxidized low-density lipoprotein (oxLDL) uptake. Resulting foam cell formation leads to lipid-rich lesions within arteries. We designed amphiphilic macromolecules (AMs) to inhibit these processes by competitively blocking oxLDL uptake via SRs, potentially arresting atherosclerotic development. In this study, we investigated the impact of replacing ester linkages with ether linkages in the AM hydrophobic domain. We hypothesized that ether linkages would impart flexibility for orientation to improve binding to SR binding pockets, enhancing anti-atherogenic activity. A series of tartaric acid-based AMs with varying hydrophobic chain lengths and conjugation chemistries were synthesized, characterized, and evaluated for bioactivity. 3-D conformations of AMs in aqueous conditions may have significant effects on anti-atherogenic potency and were simulated by molecular modeling. Notably, ether-linked AMs exhibited significantly higher levels of inhibition of oxLDL uptake than their corresponding ester analogues, indicating a dominant effect of linkage flexibility on pharmacological activity. The degradation stability was also enhanced for ether-linked AMs. These studies further suggested that alkyl chain length (i.e., relative hydrophobicity), conformation (i.e., orientation), and chemical stability play a critical role in modulating oxLDL uptake, and guide the design of innovative cardiovascular therapies.
心血管疾病始于清道夫受体(SR)介导的氧化低密度脂蛋白(oxLDL)摄取的动脉粥样硬化级联反应。由此产生的泡沫细胞形成会导致动脉内出现富含脂质的病变。我们设计了两亲性大分子(AMs),通过竞争性阻断SR介导的oxLDL摄取来抑制这些过程,从而有可能阻止动脉粥样硬化的发展。在本研究中,我们研究了在AM疏水结构域中用醚键取代酯键的影响。我们假设醚键会赋予取向灵活性,以改善与SR结合口袋的结合,增强抗动脉粥样硬化活性。合成了一系列具有不同疏水链长度和共轭化学结构的基于酒石酸的AMs,对其进行了表征并评估了生物活性。通过分子建模模拟了AMs在水性条件下的三维构象,其可能对抗动脉粥样硬化效力有显著影响。值得注意的是,醚键连接的AMs对oxLDL摄取的抑制水平明显高于其相应的酯类似物,表明连接灵活性对药理活性有主导作用。醚键连接的AMs的降解稳定性也有所提高。这些研究进一步表明,烷基链长度(即相对疏水性)、构象(即取向)和化学稳定性在调节oxLDL摄取中起关键作用,并为创新心血管治疗的设计提供了指导。