neo-Clerodane diterpenoids from Scutellaria barbata mediated inhibition of P-glycoprotein in MCF-7/ADR cells

Eur J Med Chem. 2016 Oct 4:121:238-249. doi: 10.1016/j.ejmech.2016.05.045. Epub 2016 May 24.

Abstract

Ten new (1-10) and seventeen known (11-27) neo-clerodane diterpenoids substituted with nicotinoyloxyl were isolated from the plant Scutellaria barbata and their structures were established by extensive spectroscopic analysis. Chemoreversal effects of these neo-clerodane diterpenoids on multidrug resistance were evaluated in breast cancer multidrug-resistant MCF-7/ADR cells that overexpress P-glycoprotein. Four compounds (11, 14, 16, and 18) exhibited better chemoreversal abilities than the classical P-gp inhibitor verapamil and the most potent compound 11 reduced IC50 value of adriamycin in MCF-7/ADR cells from 58.8 μM to 1.3 μM. Mechanistic investigations showed that compound 11 reversed multidrug resistance through suppressing the activity of P-gp and restraining the expression of P-glycoprotein. In the present study, the structure-activity relationships of neo-clerodane diterpenoids were also discussed.

Keywords: Multidrug resistance; P-glycoprotein; Scutellaria barbata; Structure–activity relationship; neo-Clerodane diterpenoid.

MeSH terms

  • ATP Binding Cassette Transporter, Subfamily B / antagonists & inhibitors*
  • ATP Binding Cassette Transporter, Subfamily B / chemistry
  • ATP Binding Cassette Transporter, Subfamily B / metabolism
  • Diterpenes, Clerodane / chemistry
  • Diterpenes, Clerodane / isolation & purification
  • Diterpenes, Clerodane / metabolism
  • Diterpenes, Clerodane / pharmacology*
  • Gene Expression Regulation / drug effects
  • Humans
  • MCF-7 Cells
  • Molecular Docking Simulation
  • Protein Conformation
  • Scutellaria / chemistry*
  • Structure-Activity Relationship

Substances

  • ATP Binding Cassette Transporter, Subfamily B
  • Diterpenes, Clerodane