Breaking Down the Barriers to a Natural Antiviral Agent: Antiviral Activity and Molecular Docking of Erythrina speciosa Extract, Fractions, and the Major Compound

Chem Biodivers. 2020 Feb;17(2):e1900511. doi: 10.1002/cbdv.201900511. Epub 2020 Jan 9.

Abstract

The in vitro cytotoxic activity in Vero cells and the antiviral activity of Erythrina speciosa methanol extract, fractions, and isolated vitexin were studied. The results revealed that E. speciosa leaves ethyl acetate soluble fraction of the methanol extract (ESLE) was the most active against herpes simplex virus type 1 (HSV-1). Bioactivity-guided fractionation was performed on ESLE to isolate the bioactive compounds responsible for this activity. One sub-fraction from ESLE (ESLE IV) showed the highest activity against HSV-1 and Hepatitis A HAV-H10 viruses. Vitexin isolated from ESLE VI exhibited a significant antiviral activity (EC50 =35±2.7 and 18±3.3 μg/mL against HAV-H10 and HSV-1 virus, respectively), which was notably greater than the activity of the extract and the fractions. Molecular docking studies were carried out to explore the molecular interactions of vitexin with different macromolecular targets. Analysis of the in silico data together with the in vitro studies validated the antiviral activity associated with vitexin. These outcomes indicated that vitexin is a potential candidate to be utilized commendably in lead optimization for the development of antiviral agents.

Keywords: Erythrina; HSV; antiviral agents; docking; hepatitis; vitexin.

MeSH terms

  • Antiviral Agents / chemistry
  • Antiviral Agents / metabolism*
  • Antiviral Agents / pharmacology
  • Apigenin / chemistry
  • Apigenin / metabolism*
  • Apigenin / pharmacology
  • Binding Sites
  • Capsid Proteins / chemistry
  • Capsid Proteins / metabolism
  • DNA-Directed DNA Polymerase / chemistry
  • DNA-Directed DNA Polymerase / metabolism
  • Erythrina / chemistry*
  • Erythrina / metabolism
  • Fruit / chemistry
  • Fruit / metabolism
  • Hepatitis A virus / drug effects
  • Hepatitis A virus / metabolism
  • Herpesvirus 1, Human / drug effects
  • Herpesvirus 1, Human / metabolism
  • Molecular Docking Simulation*
  • Plant Extracts / chemistry*
  • Viral Proteins / chemistry
  • Viral Proteins / metabolism

Substances

  • Antiviral Agents
  • Capsid Proteins
  • Plant Extracts
  • Viral Proteins
  • Apigenin
  • vitexin
  • DNA-Directed DNA Polymerase