2. Academic Validation
  3. Antitumor studies. Part 1: design, synthesis, antitumor activity, and AutoDock study of 2-deoxo-2-phenyl-5-deazaflavins and 2-deoxo-2-phenylflavin-5-oxides as a new class of antitumor agents

Antitumor studies. Part 1: design, synthesis, antitumor activity, and AutoDock study of 2-deoxo-2-phenyl-5-deazaflavins and 2-deoxo-2-phenylflavin-5-oxides as a new class of antitumor agents

  • Bioorg Med Chem. 2007 Jan 1;15(1):242-56. doi: 10.1016/j.bmc.2006.09.063.
Hamed I Ali 1,  Keiichiro Tomita,  Eiichi Akaho,  Hiroto Kambara,  Shinji Miura,  Hiroyuki Hayakawa,  Noriyuki Ashida,  Yutaka Kawashima,  Takehiro Yamagishi,  Hisao Ikeya,  Fumio Yoneda,  Tomohisa Nagamatsu
Affiliations

Affiliation

  • 1 Division of Pharmaceutical Sciences, Graduate School of Medicine, Dentistry and Pharmaceutical Sciences, Okayama University 1-1-1, Tsushima-naka, Okayama 700-8530, Japan.
PMID: 17049252 DOI: 10.1016/j.bmc.2006.09.063
Abstract

Novel 2-deoxo-2-phenyl-5-deazaflavins and 2-deoxo-2-phenylflavin-5-oxides were prepared as a new class of antitumor agents and showed significant antitumor activities against NCI-H 460, HCT 116, A 431, CCRF-HSB-2, andKB cell lines. In vivo investigation, 2-deoxo-10-methyl-2-phenyl-5-deazaflavin exhibited the effective antitumor activity against A 431 human adenocarcinoma cells transplanted subcutaneously into nude mouse. Furthermore, AutoDock study has been done by binding of the flavin analogs into PTK pp60(c-src), where a good correlation between their IC(50) and AutoDock binding free energy was exhibited. In particular, 2-deoxo-2-phenylflavin-5-oxides exhibited the highest potential binding affinity within the binding pocket of PTK.

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