在对聚醚类海生毒素构效关系研究的基础上,设计了5个结构简化的高活性化合物。对它们的电子结构和空间结构进行了计算和研究,并同CTX、BTX类化合物进行了比较,讨论了新化合物和已知化合物在电子结构与空间结构上的一致性。依据相关关系对新化合物进行了活性预测。 Based on the study of the structure-activity relationship of polyether-like toxins, five highly active compounds with simple structure were designed. Their electronic structure and spatial structure were calculated and studied. Compared with CTX and BTX compounds, the electronic structures and the spatial structures of new compounds and known compounds were discussed. Based on the correlation between the new compound activity prediction.