In silico analysis of selected honey constituents as human neutrophil elastase (HNE) and matrix metalloproteinases (MMP 2 and 9) inhibitors

Radhakrishnan Narayanaswamy, Kok Wai Lam, Intan Safinar Ismail

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

In the present study 12 constituents of honey were evaluated on the docking behavior of human neutrophil elastase and matrix metalloproteinases (MMP 2 and MMP 9) using Discovery Studio. In addition molecular physicochemical, bioactivity, absorption, distribution, metabolism, excretion, and toxicity, and toxicity prediction by komputer assisted technology analyses were done. The molecular physicochemical analysis revealed thatall of the ligands comply with Lipinskis rule of five. Docking studies revealed that 3-phenyllacticacid exhibited the maximum interaction energy irrespective of its target proteins.The present study provided new insight in understanding these honey constituents as potential enzyme inhibitors.

Original languageEnglish
Pages (from-to)2155-2164
Number of pages10
JournalInternational Journal of Food Properties
Volume18
Issue number10
DOIs
Publication statusPublished - 3 Oct 2015

Fingerprint

Leukocyte Elastase
elastase
gelatinase A
gelatinase B
Honey
Matrix Metalloproteinase 2
Matrix Metalloproteinase 9
metalloproteinases
Matrix Metalloproteinases
honey
Computer Simulation
neutrophils
toxicity
enzyme inhibitors
Enzyme Inhibitors
human behavior
excretion
Ligands
Technology
metabolism

Keywords

  • 3-phenyllacticacid
  • 4-hydroxybenzoic acid
  • Human neutrophil elastase (HNE)
  • Matrix metalloproteinases (MMP 2 and 9)
  • Methylglyoxal
  • O-methoxyacetophenone

ASJC Scopus subject areas

  • Food Science

Cite this

In silico analysis of selected honey constituents as human neutrophil elastase (HNE) and matrix metalloproteinases (MMP 2 and 9) inhibitors. / Narayanaswamy, Radhakrishnan; Lam, Kok Wai; Ismail, Intan Safinar.

In: International Journal of Food Properties, Vol. 18, No. 10, 03.10.2015, p. 2155-2164.

Research output: Contribution to journalArticle

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