黄曲霉毒素B1、柄曲霉素和杂色曲霉素的量子化学研究及其诱变活性比较
Quantum-chemical studies of aflatoxin B1, sterigmatocystin and versicolorin A, and a comparison with their mutagenic activity.
作者信息
Pachter R, Steyn P S
出版信息
Mutat Res. 1985 May-Jun;143(1-2):87-91. doi: 10.1016/0165-7992(85)90111-3.
PMID:3923331
Abstract
The INDO atomic charges q and Wiberg bond indices p (in electrons) were calculated for aflatoxin B1, sterigmatocystin and versicolorin A. The C-2-C-3 bond in these compounds has the same bond order and is predicted to be the most reactive towards epoxidation. The electronic effects do not explain the observed differences in mutagenicity and toxicity.
摘要
计算了黄曲霉毒素B1、柄曲霉素和杂色曲霉素A的INDO原子电荷q和维伯格键级p（以电子为单位）。这些化合物中的C-2-C-3键具有相同的键级，预计对环氧化反应最具反应活性。电子效应无法解释所观察到的致突变性和毒性差异。
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