A theoretical study on camptothecin-AM1 treatment

Camptothecin (irinotecan), a new cytotoxic agent having antitumor activity and especially used in the treatment of advanced colorectal cancers is cons idered for AM1-RBF type semiempirical quantum chemical treatment together w ith some analogs of camptothecin. The structural properties and energetics of these molecules have been compared. The structures arising from monoprot onation of camptothecin at various sites are analyzed from thermodynamic po int of view. (C) 2001 Elsevier Science B.V. All rights reserved.