Optimizing the flavanone core toward new selective nitrogen-containing modulators of ABC transporters

Future Med Chem. 2018 Apr 1;10(7):725-741. doi: 10.4155/fmc-2017-0228. Epub 2018 Mar 23.

Abstract

Aim: Naringenin (1), isolated in large amount from the aerial parts of Euphorbia pedroi, was chemically derivatized to yield 18 imine derivatives (2-19) and three alkylated derivatives through a Mannich-type reaction (20-22) that were tested as multidrug resistance (MDR) reversers in cancer cells. Results/methodology: While hydrazone (2-4) and azine (5-13) derivatives showed an improvement in their MDR reversal activities against the breast cancer resistance protein, carbohydrazides 14-19 revealed an enhancement in MDR reversal activity toward the multidrug resistance protein 1.

Conclusion: The observed activities, together with pharmacophoric analysis and molecular docking studies, identified the spatial orientation of the substituents as a key structural feature toward a possible mechanism by which naringenin derivatives may reverse MDR in cancer.

Keywords: ABC transporters; BCRP; MRP1; P-gp; flavanone; hydrazides; hydrazones; molecular docking; multidrug resistance; pharmacophore.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • ATP-Binding Cassette Transporters / chemistry
  • ATP-Binding Cassette Transporters / drug effects*
  • Animals
  • Breast Neoplasms / pathology
  • Carbon-13 Magnetic Resonance Spectroscopy
  • Cell Line
  • Cell Survival / drug effects
  • Chromatography, Liquid
  • Chromatography, Thin Layer
  • Cricetinae
  • Drug Resistance, Multiple / drug effects*
  • Drug Resistance, Neoplasm / drug effects*
  • Euphorbia / chemistry
  • Female
  • Flavanones / chemistry
  • Flavanones / isolation & purification
  • Flavanones / pharmacology*
  • Humans
  • Mass Spectrometry
  • Mice
  • Molecular Docking Simulation
  • Nitrogen / analysis*
  • Plant Components, Aerial / chemistry
  • Proton Magnetic Resonance Spectroscopy
  • Structure-Activity Relationship

Substances

  • ATP-Binding Cassette Transporters
  • Flavanones
  • naringenin
  • Nitrogen