A theoretical study on camptothecin-AM1 treatment

Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.549, no.3, pp.275-283, 2001 (SCI-Expanded) identifier identifier identifier


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