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Review Article

在计算机模拟中新型放射性标记肽探针的开发

卷 27, 期 41, 2020

页: [7048 - 7063] 页: 16

弟呕挨: 10.2174/0929867327666200504082256

价格: $65

摘要

这篇综述描述了计算机设计方法在新的放射性药物，特别是基于肽的放射性示踪剂（包括拟肽）的设计中的有用性。尽管不属于放射性药物设计过程中使用的标准库的一部分，但计算机放射学策略的应用在放射化学领域正在稳步增长，因为它有助于更加合理和科学的方法。这篇综述提供了新的基于肽的放射性药物的开发以及合适的计算方法的简短介绍。第一部分简要概述了使用的三种最有用的计算机辅助药物设计策略，即i）使用药效团建模的基于配体的方法（LBDD），ii）使用分子对接策略的基于结构的设计方法（SBDD）和iii ）吸收-分布-代谢-排泄-毒性（ADMET）预测。第二部分总结了与这些计算机辅助技术相关的挑战，并讨论了计算机电子放射性药物设计在基于肽的放射性药物开发中的成功应用，从而改善了核医学的临床程序。最后，重点介绍了计算机模拟作为设计策略的进步和未来潜力。

关键词: 计算机辅助药物设计，基于配体的药物设计，基于结构的药物设计，正电子发射断层扫描（PET），单光子发射断层扫描（SPECT），吸收-分布-代谢-排泄毒性（ADMET）

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