Synthesis and biological evaluation of 5-aminoethyl benzophenanthridone derivatives as DNA topoisomerase IB inhibitors

Eur J Med Chem. 2019 Sep 15:178:81-92. doi: 10.1016/j.ejmech.2019.05.074. Epub 2019 May 30.

Abstract

DNA topoisomerase IB (TOP1) regulates DNA topological structure in many cellular metabolic processes and is a validated target for development of antitumor agents. Our previous study revealed that the benzophenanthridone scaffold is a novel chemotype for the discovery of TOP1 inhibitors. In this work, a series of novel 5-aminoethyl substituted benzophenanthridone derivatives have been synthesized and evaluated for TOP1 inhibition and cytotoxicity. Compound 12 exhibits the most potent TOP1 inhibition (+++) and cytotoxicity in human cancer cell lines with GI50 values at nanomolar concentration range. 12 induces the cellular TOP1cc formation and DNA damage, resulting in HCT116 cell apoptosis. The pharmacokinetics, acute toxicity and antitumor efficiency in vivo of 12 were also studied.

Keywords: Antitumor; Benzophenanthridone; Cytotoxicity; DNA damage; Inhibitor; Topoisomerase.

MeSH terms

  • Animals
  • Antineoplastic Agents / chemical synthesis
  • Antineoplastic Agents / metabolism
  • Antineoplastic Agents / pharmacokinetics*
  • Antineoplastic Agents / therapeutic use
  • Apoptosis / drug effects
  • Benzophenanthridines / chemical synthesis
  • Benzophenanthridines / metabolism
  • Benzophenanthridines / pharmacokinetics*
  • Benzophenanthridines / therapeutic use
  • Breast Neoplasms / drug therapy
  • Cell Line, Tumor
  • DNA Damage / drug effects
  • DNA Topoisomerases, Type I / chemistry
  • DNA Topoisomerases, Type I / metabolism
  • Drug Screening Assays, Antitumor
  • Humans
  • Mice, Nude
  • Molecular Docking Simulation
  • Molecular Structure
  • Protein Binding
  • Structure-Activity Relationship
  • Topoisomerase I Inhibitors / chemical synthesis
  • Topoisomerase I Inhibitors / metabolism
  • Topoisomerase I Inhibitors / pharmacokinetics*
  • Topoisomerase I Inhibitors / therapeutic use
  • Xenograft Model Antitumor Assays

Substances

  • Antineoplastic Agents
  • Benzophenanthridines
  • Topoisomerase I Inhibitors
  • DNA Topoisomerases, Type I
  • TOP1 protein, human