title: Bioinformatical and in vitro approaches to essential oil-induced matrix metalloproteinase inhibition.
abstract: BACKGROUND
  Essential oils carry diverse antimicrobial and anti-enzymatic properties.
  
  
  OBJECTIVE
  Matrix metalloproteinase (MMP) inhibition characteristics of Salvia fruticosa Miller (Labiatae), Myrtus communis Linnaeus (Myrtaceae), Juniperus communis Linnaeus (Cupressaceae), and Lavandula stoechas Linnaeus (Labiatae) essential oils were evaluated.
  
  
  METHODS
  Chemical compositions of the essential oils were analyzed by gas chromatography-mass spectrometry (GC-MS). Bioinformatical database analysis was performed by STRING 9.0 and STITCH 2.0 databases, and ViaComplex software. Antibacterial activity of essential oils against periodontopathogens was tested by the disc diffusion assay and the agar dilution method. Cellular proliferation and cytotoxicity were determined by commercial kits. MMP-2 and MMP-9 activities were measured by zymography.
  
  
  RESULTS
  Bioinformatical database analyses, under a score of 0.4 (medium) and a prior correction of 0.0, gave rise to a model of protein (MMPs and tissue inhibitors of metalloproteinases) vs. chemical (essential oil components) interaction network; where MMPs and essential oil components interconnected through interaction with hydroxyl radicals, molecular oxygen, and hydrogen peroxide. Components from L. stoechas potentially displayed a higher grade of interaction with MMP-2 and -9. Although antibacterial and growth inhibitory effects of essential oils on the tested periodontopathogens were limited, all of them inhibited MMP-2 in vitro at concentrations of 1 and 5 µL/mL. Moreover, same concentrations of M. communis and L. stoechas also inhibited MMP-9. MMP-inhibiting concentrations of essential oils were not cytotoxic against keratinocytes.
  
  
  CONCLUSIONS
  We propose essential oils of being useful therapeutic agents as MMP inhibitors through a mechanism possibly based on their antioxidant potential.
authors.affiliation: Department of Biochemistry, Center of Oxidative Stress Research, Institute of Basic Health Sciences, Federal University of Rio Grande do Sul (UFRGS), Porto Alegre, Rio Grande do Sul, Brazil. fzchulia.biomed@gmail.com
authors.forename: Fares
authors.initials: F
authors.lastname: Zeidán-Chuliá
authors.forename: José L
authors.initials: JL
authors.lastname: Rybarczyk-Filho
authors.forename: Mervi
authors.initials: M
authors.lastname: Gursoy
authors.forename: Eija
authors.initials: E
authors.lastname: Könönen
authors.forename: Veli-Jukka
authors.initials: VJ
authors.lastname: Uitto
authors.forename: Orhan V
authors.initials: OV
authors.lastname: Gursoy
authors.forename: Lutfu
authors.initials: L
authors.lastname: Cakmakci
authors.forename: José C F
authors.initials: JC
authors.lastname: Moreira
authors.forename: Ulvi K
authors.initials: UK
authors.lastname: Gursoy
mesh_terms: D000900:Anti-Bacterial Agents / Q000009:adverse effects / Q000737:chemistry / Q000494:pharmacology*; D000975:Antioxidants / Q000009:adverse effects / Q000737:chemistry / Q000494:pharmacology; D001938:Brazil; D002460:Cell Line; D049109:Cell Proliferation / Q000187:drug effects; D019295:Computational Biology; D006090:Gram-Negative Bacteria / Q000187:drug effects; D006094:Gram-Positive Bacteria / Q000187:drug effects; D006801:Humans; D018653:Juniperus / Q000737:chemistry; D015603:Keratinocytes / Q000187:drug effects / Q000201:enzymology; D019686:Lamiaceae / Q000737:chemistry; D020778:Matrix Metalloproteinase 2; D061965:Matrix Metalloproteinase Inhibitors; D008519:Medicine, Traditional; D008826:Microbial Sensitivity Tests; D008954:Models, Biological; D031651:Myrtus / Q000737:chemistry; D009822:Oils, Volatile / Q000009:adverse effects / Q000737:chemistry / Q000494:pharmacology*; D010518:Periodontitis / Q000188:drug therapy / Q000382:microbiology; D011480:Protease Inhibitors / Q000009:adverse effects / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000900:Anti-Bacterial Agents; D000975:Antioxidants; D061965:Matrix Metalloproteinase Inhibitors; D009822:Oils, Volatile; D011480:Protease Inhibitors; C522361:MMP2 protein, human; D020778:Matrix Metalloproteinase 2