Drugs have to overcome numerous barriers to reach their desired therapeutic targets. In several cases, drugs, especially the highly lipophilic molecules, suffer from low solubility and bioavailability and therefore their desired targeting is hampered. In addition, undesired metabolic products might be produced or off-targets could be recognized. Along these lines, nanopharmacology has provided new technological platforms, to overcome these boundaries. Specifically, numerous vehicle platforms such as cyclodextrins and calixarenes have been widely utilized to host lipophilic drugs such as antagonists of the angiotensin II AT1 receptor (AT₁R), as well as quercetin and silibinin. The encapsulation of these drugs in supramolecules or other systems refines their solubility and metabolic stability, increases their selectivity and therefore decreases their effective dose and improves their therapeutic index. In this mini review we report on the formulations of silibinin and AT₁R antagonist candesartan in a 2-HP-β-cyclodextrin host molecule, which displayed enhanced cytotoxicity and increased silibinin’s and candesartan’s stability, respectively. Moreover, we describe the encapsulation of quercetin in gold nanoparticles bearing a calixarene supramolecular host. Also, the encapsulation of temozolomide in a calixarene nanocapsule has been described. Finally, we report on the activity enhancement that has been achieved upon using these formulations as well as the analytical and computational methods we used to characterize these formulations and explore the molecular interactions between the host and quest molecules.

药物必须克服许多障碍才能达到所需的治疗目标。在一些情况下，药物，尤其是高度亲脂性分子，具有低溶解度和生物利用度的问题，因此它们所需的靶向性受到阻碍。此外，可能会产生不需要的代谢产物或可能识别出脱靶。沿着这些路线，纳米药理学提供了新的技术平台，以克服这些界限。具体而言，许多载体平台如环糊精和杯芳烃已被广泛用于宿主亲脂性药物，如血管紧张素 II AT1 受体拮抗剂（AT ₁R)，以及槲皮素和水飞蓟宾。将这些药物封装在超分子或其他系统中可以改善它们的溶解度和代谢稳定性，增加它们的选择性，从而降低它们的有效剂量并提高它们的治疗指数。在这篇小型评论中，我们报告了水飞蓟宾和 AT ₁的配方2-HP-β-环糊精宿主分子中的 R 拮抗剂坎地沙坦，显示出增强的细胞毒性并分别增加了水飞蓟宾和坎地沙坦的稳定性。此外，我们描述了槲皮素在带有杯芳烃超分子宿主的金纳米颗粒中的封装。此外，已经描述了替莫唑胺在杯芳烃纳米胶囊中的包封。最后，我们报告了使用这些配方所实现的活性增强，以及我们用来表征这些配方并探索宿主和探索分子之间的分子相互作用的分析和计算方法。