Synthesis of novel benzodioxane midst piperazine moiety decorated chitosan silver nanoparticle against biohazard pathogens and as potential anti-inflammatory candidate: A molecular docking studies

Int J Biol Macromol. 2018 Mar:108:489-502. doi: 10.1016/j.ijbiomac.2017.12.045. Epub 2017 Dec 8.

Abstract

Nanoparticles (NPs) are currently being investigated along with the use of biodegradable polymer containing active agents in many areas of medicine for targeted applications. The present study was aimed to synthesize novel compound Benzodioxane midst piperazine (BP) and characterization of a BP decorated chitosan silver nanoparticles (BP*C@AgNPs) and shown effective against hazardous pathogens, and also having anti-inflammatory property. It was further evaluated for molecular docking proofs, and toxicity. The BP*C@AgNPs had spherical shape with size of 36.6nm with wide biocidal activity against hazardous Gram-positive and Gram-negative bacteria with excellent inhibition at 100μg/mL for S. aureus (10.08±0.05mm ZOI), and E. coli (10.03±0.04mm ZOI) compared to antibiotic Streptomycin. The anti-inflammatory activity exhibited IC50 value of 71.61±1.05μg/mL for BP*C@AgNPs compared to indomethacin (IC50=40.15±1.21μg/mL). Also, the docking study of BP showed excellent score for COX1 and DNA gyrase. This in silico study confirmed the achieved efficacy of BP, with less toxicity against normal PMBCs in vitro and in vivo studies. This study concludes that, the novel synthesized BP*C@AgNPs had excellent biocidal property and as anti-inflammatory candidate revealed by docking studies, it confirms BP*C@AgNPs for first-class therapeutic applications in the area of medicinal nanotechnology for the coming days.

Keywords: Anti-inflammatory; Chitosan; Molecular-docking; Piperazine; Silver nanoparticles; Toxicity.

MeSH terms

  • Animals
  • Anti-Infective Agents / chemistry*
  • Anti-Infective Agents / pharmacology
  • Anti-Inflammatory Agents / chemistry*
  • Anti-Inflammatory Agents / pharmacology
  • Bacteria / drug effects
  • Bacteria / ultrastructure
  • Chitosan* / chemistry
  • Metal Nanoparticles / chemistry*
  • Metal Nanoparticles / ultrastructure
  • Mice
  • Microbial Sensitivity Tests
  • Molecular Conformation
  • Molecular Docking Simulation
  • Molecular Dynamics Simulation
  • Oxidative Stress / drug effects
  • Piperazine
  • Piperazines / chemistry*
  • Silver* / chemistry
  • Spectroscopy, Fourier Transform Infrared
  • Structure-Activity Relationship
  • X-Ray Diffraction

Substances

  • Anti-Infective Agents
  • Anti-Inflammatory Agents
  • Piperazines
  • Piperazine
  • Silver
  • Chitosan