Cytotoxicity of furoxans: quantitative structure-activity relationships study

Mariana Boiani; Hugo Cerecetto; Mercedes González

doi:10.1016/j.farmac.2003.12.011

Cytotoxicity of furoxans: quantitative structure-activity relationships study

Farmaco. 2004 May;59(5):405-12. doi: 10.1016/j.farmac.2003.12.011.

Authors

Mariana Boiani¹, Hugo Cerecetto, Mercedes González

Affiliation

¹ Departamento de Química Orgánica, Facultad de Química-Facultad de Ciencias, Iguá 4225, 11400 Montevideo, Uruguay.

PMID: 15120320
DOI: 10.1016/j.farmac.2003.12.011

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Animals
Antineoplastic Agents / chemistry
Antineoplastic Agents / pharmacology*
Cell Division / drug effects*
Cell Line, Tumor
Cricetinae
Lung / cytology
Lung / drug effects*
Lung / metabolism
Oxadiazoles / chemistry
Oxadiazoles / pharmacology*
Oxidation-Reduction
Quantitative Structure-Activity Relationship

Substances

Antineoplastic Agents
Oxadiazoles
furoxans