Quantum chemical studies on certain mitomycins - AM1 treatment


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.542, pp.247-253, 2001 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 542
  • Publication Date: 2001
  • Doi Number: 10.1016/s0166-1280(00)00854-x
  • Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.247-253

Abstract

Mitomycin-C, a widely used antitumor antibiotic, and its analogues mitomycin-A and porfiromycin are considered for AM1-RHF type semiempirical quantum chemical treatment. The structural and energetic aspects, as well as certain molecular orbital characteristics of these structures have been compared. (C) 2001 Elsevier Science B.V. All rights reserved.