Study on antiviral activities, drug-likeness and molecular docking of bioactive compounds of Punica granatum L. to Herpes simplex virus - 2 (HSV-2)

Microb Pathog. 2018 May:118:301-309. doi: 10.1016/j.micpath.2018.03.052. Epub 2018 Mar 28.

Abstract

Herpes simplex virus - 2 (HSV-2) causes lifelong persisting infection in the immunocompromised host and intermittent in healthy individuals with high morbidity in neonatals and also increase the transmission of HIV. Acyclovir is widely used drug to treat HSV-2 infection but it unable to control viral latency and recurrent infection and prolonged usage lead to drug resistance. Plant-based bioactive compounds are the lead structural bio-molecules play an inevitable role as a potential antiviral agent with reduced toxicity. Therefore, there is an urgent need to develop anti-HSV-2 bioactive molecules to prevent viral resistance and control of latent infection. Punica granatum fruit is rich in major bioactive compounds with potential antimicrobial properties. Hence, we evaluated the anti-HSV-2 efficacy of lyophilized extracts and bioactive compounds isolated from fruit peel of P. granatum. As a result, ethanolic peel extract showed significant inhibition at 62.5 μg/ml. Hence, the fruit peel ethanolic extract was subjected for the isolation of bioactive compounds isolation by bioactivity-guided fractionation. Among isolated bioactive compounds, punicalagin showed 100% anti-HSV-2 activity at 31.25 μg/ml with supportive evidence of desirable in silico ADMET properties and strong interactions to selected protein targets of HSV-2 by docking analysis.

Keywords: Bioactive compounds; HEp-2 cells; HSV-2; Punica granatum; Punicalagin.

MeSH terms

  • Animals
  • Antiviral Agents / chemistry*
  • Antiviral Agents / pharmacology*
  • Caco-2 Cells
  • Cell Line, Tumor / drug effects
  • Cell Survival / drug effects
  • Computer Simulation
  • Dogs
  • Drug Resistance, Viral / drug effects
  • Ellagic Acid / pharmacology
  • Freeze Drying
  • Fruit / chemistry
  • Gallic Acid / pharmacology
  • Herpesvirus 2, Human / drug effects*
  • Humans
  • Lythraceae / chemistry*
  • Madin Darby Canine Kidney Cells
  • Microbial Sensitivity Tests
  • Molecular Docking Simulation / methods*
  • Phytochemicals / chemistry
  • Phytochemicals / pharmacology
  • Plant Extracts / chemistry
  • Plant Extracts / isolation & purification
  • Plant Extracts / pharmacology*

Substances

  • Antiviral Agents
  • Phytochemicals
  • Plant Extracts
  • Ellagic Acid
  • Gallic Acid