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An ab initio study of the guanidinium fragments in tetrodotoxin and saxitoxin

✍ Scribed by A. M. Sapse; A. Santoro

Publisher: John Wiley and Sons
Year: 1981
Tongue: English
Weight: 336 KB
Volume: 2
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540020402

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✦ Synopsis

Abstract

SCF Hartree–Fock calculations are used to predict properties of the guanidinium fragment present in tetrodotoxin and saxitoxin, toxins known to block the sodium channels of the nerve cell membrane. The results, in terms of net atomic charges and geometries, are compared to similar calculation results obtained for the Na^+^–H~2~O complex.

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