Quantum-chemical studies of aflatoxin B1, sterigmatocystin and versicolorin A, and a comparison with their mutagenic activity.

doi:10.1016/0165-7992(85)90111-3

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Article

Quantum-chemical studies of aflatoxin B1, sterigmatocystin and versicolorin A, and a comparison with their mutagenic activity.

Mutation research - 1 Jan 2000

Pachter R, Steyn P S

Abstract excerpt

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...

Topics

Aflatoxin B1
Aflatoxins
Anthraquinones
Chemical Phenomena
Chemistry, Physical
Mutation
Sterigmatocystin
Structure-Activity Relationship
Xanthenes

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