| Literature DB >> 15120320 |
Mariana Boiani1, Hugo Cerecetto, Mercedes González.
Abstract
Furoxans are interesting biological active compounds. Recent studies demonstrate that they are cytotoxic under aerobic conditions. This paper shows that this cytotoxicity could be related with E(LUMO), calculated LogP and Mulliken charge on heterocycle nitrogen 2 calculated at ab initio level (3-21G* basis). It was possible to propose a tentative mechanism of cytotoxicity and structural modifications to modulate the cytotoxic potency of furoxan derivatives. Copyright 2004 Elsevier SASEntities:
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Year: 2004 PMID： 15120320 DOI： 10.1016/j.farmac.2003.12.011
Source DB: PubMed Journal: Farmaco ISSN： 0014-827X