芋螺毒素(CTX)主要作用于细胞膜上多种离子通道和神经递质/激肽的受体,有很强的生物学活性。CTX结构新颖,功能独特,分子质量小,便于作为分子模式构建和构效关系研究的对象而应用于新药设计。但是其临床给药不方便,吸收率低,稳定性较差,这些缺点也成为药物设计学研究的主要目标。目前已有实验室设计出具有一定活性的CTX类似物,其中一些已经进入临床研究,具有良好的开发和应用的前景。文章从CTX化学修饰优化和计算机辅助设计两个方面对CTX药物设计学研究进展进行综述。 Conotoxins (CTX) mainly act on the receptors of various ion channels and neurotransmitter / kinin in the cell membrane and have strong biological activity. CTX has the advantages of novel structure, unique function and small molecular mass, which is suitable for the design of new drugs as a target for the study of molecular model construction and structure-activity relationship. However, its clinical administration inconvenient, low absorption rate, poor stability, these shortcomings have also become the main goal of drug design and research. At present, some laboratories have designed certain active CTX analogs, some of which have entered clinical research and have good prospect of development and application. The article reviews the progress of CTX drug design from two aspects of CTX chemical modification and computer aided design.