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研究了河豚毒素（TTX）和石房蛤毒素（STX）及其衍生物的电子结构和分子构型．结果表明TTX中的胍基和半缩醛内酯环以及STX中的两个胍基均形成具有一个碳正电中心的两个高极性平面构型，三角形三个顶点的氮和氧原子分别带有大量负电荷．TTX和STX具有相似的电子结构和空间结构．对于TTX和STX及其衍生物的作用机理以及分子构型与毒性之间的关系也进行了讨论．
The electronic structures and molecular configurations of tetrodotoxin (TTX) and saxitoxin (STX) and their derivatives were studied. The results indicate that the guanidino and hemi-acetal lactones in TTX and both guanidino groups in STX form two highly polar planar configurations with a carbon-centered center and the nitrogen and oxygen atoms at the three vertices of the triangle With a large negative charge. TTX and STX have similar electronic structure and spatial structure. The mechanism of action of TTX and STX and its derivatives as well as the relationship between molecular configuration and toxicity are also discussed.