AN INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF THE ANTITUMOR DRUG ELLIPTICINE AND ITS DERIVATIVES .1. GEOMETRICAL AM1 STUDY

Dantas, S. O.Lavarda, Francisco Carlos [UNESP]Galvao, D. S.Laks, B.2014-05-202014-05-201992-01-31Theochem-Journal of Molecular Structure. Amsterdam: Elsevier B.V., v. 85, p. 319-332, 1992.0166-1280http://hdl.handle.net/11449/35398Ellipticine and its derivatives are a class of molecules that show antitumor and cytotoxic activity with a multimodal mechanism of action. In this paper we report a preliminary Austin Method One (AM1) study of ellipticine and some molecules derived from it. We have observed a relationship between charge density distribution and biological selectivity. A mechanism that could improve cytotoxic activity is proposed.319-332engAN INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF THE ANTITUMOR DRUG ELLIPTICINE AND ITS DERIVATIVES .1. GEOMETRICAL AM1 STUDYArtigo10.1016/0166-1280(92)87117-IWOS:A1992HE63500026Acesso restrito9457018963105073