Chemical Composition of Pinus roxburghii Bark Volatile Oil and Validation of Its Anti-Inflammatory Activity Using Molecular Modelling and Bleomycin-Induced Inflammation in Albino Mice

Molecules. 2017 Aug 29;22(9):1384. doi: 10.3390/molecules22091384.

Abstract

The chemical composition of Pinus roxburghii bark essential oil (PRO) was qualitatively and quantitatively determined using GC/FID and GC/MS. The anti-inflammatory activity was assessed in vitro by evaluating the binding percentages on the cannabinoids and opioids receptors. Bleomycin (BLM)-induced pulmonary inflammation in albino mice was adopted to assess PRO anti-inflammatory efficacy in vivo. In silico molecular modelling of its major components was performed on human glucocorticoids receptor (GR). Seventy-five components were identified in which longifolene (33.13%) and palmitic acid (9.34%) constituted the predominant components. No binding was observed on cannabinoid receptor type 1 (CB1), whereas mild binding was observed on cannabinoid receptor type 2 (CB2), delta, kappa, and mu receptors accounting for 2.9%, 6.9%, 10.9% and 22% binding. A significant in vivo activity was evidenced by reduction of the elevated malondialdehyde (MDA), nitric oxide (NO), myeloperoxidase (MPO), interleukin-6 (IL-6), and tumor necrosis factor-α (TNF-α) levels by 55.56%, 55.66%, 64.64%, 58.85% and 77.78% with concomitant elevation of superoxide dismutase (SOD) and catalase (CAT) activities comparable to BLM-treated group at 100 mg/kg body weight. In silico studies showed that palmitic acid exerted the fittest binding. PRO could serve as a potent anti-inflammatory natural candidate that should be supported by further clinical trials.

Keywords: Pinaceae discipline; Pinus roxburghii; anti-inflammatory activity; bleomycin; gas-chromatography; molecular modelling.

MeSH terms

  • Animals
  • Anti-Inflammatory Agents, Non-Steroidal / chemistry*
  • Anti-Inflammatory Agents, Non-Steroidal / pharmacology
  • Bleomycin / adverse effects*
  • Computer Simulation
  • Disease Models, Animal
  • Gene Expression Regulation / drug effects
  • Inflammation / chemically induced
  • Inflammation / drug therapy*
  • Inflammation / metabolism
  • Interleukin-6 / metabolism
  • Lipid Peroxidation / drug effects
  • Male
  • Mice
  • Oils, Volatile / administration & dosage
  • Oils, Volatile / chemistry*
  • Oils, Volatile / pharmacology
  • Pinus / chemistry*
  • Plant Oils / administration & dosage
  • Plant Oils / chemistry
  • Plant Oils / pharmacology
  • Receptors, Glucocorticoid / metabolism
  • Structure-Activity Relationship
  • Tumor Necrosis Factor-alpha / metabolism

Substances

  • Anti-Inflammatory Agents, Non-Steroidal
  • Interleukin-6
  • Oils, Volatile
  • Plant Oils
  • Receptors, Glucocorticoid
  • Tumor Necrosis Factor-alpha
  • interleukin-6, mouse
  • Bleomycin