There exists a paucity of structural innovation and limited molecular diversity associated with molecular frameworks in drug discovery and biomolecular imaging/chemical probe design. The discovery and exploitation of new molecular entities for medical and biological applications will necessarily involve voyaging into previously unexplored regions of chemical space. Boron clusters, notably the carboranes, offer an alternative to conventional (poly)cyclic organic frameworks that may address some of the limitations associated with the use of novel molecular frameworks in chemical biology or medicine. The high thermal stability, unique 3D structure and aromaticity, kinetic inertness to metabolism and ability to engage in unusual types of intermolecular interactions, such as dihydrogen bonds, with biological receptors make carboranes exquisite frameworks in the design of probes for chemical biology, novel drug candidates and biomolecular imaging agents. This Review highlights the key developments of carborane derivatives made over the last decade as new design tools in medicinal chemistry and chemical biology, showcasing the versatility of this unique family of boron compounds.

在药物发现和生物分子成像/化学探针设计中，缺乏与分子框架相关的结构创新和有限的分子多样性。发现和开发用于医学和生物学应用的新分子实体将必然涉及航行到以前未探索的化学空间区域。硼簇，尤其是碳硼烷，提供了传统（多）环有机框架的替代品，可以解决与化学生物学或医学中使用新型分子框架相关的一些限制。高热稳定性、独特的 3D 结构和芳香性、对新陈代谢的动力学惰性以及参与不寻常类型的分子间相互作用的能力，例如二氢键，与生物受体一起使碳硼烷成为化学生物学探针设计、新型候选药物和生物分子成像剂的精美框架。这篇综述重点介绍了过去十年中碳硼烷衍生物作为药物化学和化学生物学中新设计工具的主要发展，展示了这一独特的硼化合物家族的多功能性。