title: Effect of two imidazolium derivatives of ionic liquids on the structure and activity of adenosine deaminase.
abstract: The effect of two ionic liquids, 1-allyl 3-methyl-imidazolium (IL1) and 1-octhyl 3-methyl-imidozolium chlorides (IL2), on the structure and activity of adenosine deaminase (ADA) were described by UV-vis and fluorescence spectrophotometry in phosphate buffer and results were compared with docking and molecular dynamics (MD) simulation studies. All results showed that inhibition of activity and reduction of enzyme tertiary structure are more for octhyl than allyl derivative due to the more hydrophobic property of it. Finally structure parameters obtained from MD simulation showed that ionic liquid reduces intermolecular hydrogen bond and unfold enzyme structure. Calculation results are in good agreement with spectrophotometric studies.
authors.affiliation: School of Chemistry, Damghan University, Damgahn, Iran. ajloo@du.ac.ir
authors.forename: Davood
authors.initials: D
authors.lastname: Ajloo
authors.forename: Masoomeh
authors.initials: M
authors.lastname: Sangian
authors.forename: Maryam
authors.initials: M
authors.lastname: Ghadamgahi
authors.forename: Mina
authors.initials: M
authors.lastname: Evini
authors.forename: Ali Akbar
authors.initials: AA
authors.lastname: Saboury
mesh_terms: D000243:Adenosine Deaminase / Q000737:chemistry* / Q000378:metabolism; D000498:Allyl Compounds / Q000737:chemistry* / Q000494:pharmacology; D001665:Binding Sites; D001881:Borates / Q000737:chemistry* / Q000494:pharmacology; D020134:Catalytic Domain; D004789:Enzyme Activation / Q000187:drug effects; D007093:Imidazoles / Q000737:chemistry* / Q000494:pharmacology; D052578:Ionic Liquids / Q000737:chemistry* / Q000494:pharmacology; D007700:Kinetics; D008024:Ligands; D008968:Molecular Conformation; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D011485:Protein Binding; D011487:Protein Conformation
chemical_list: C544334:1-allyl-3-methylimidazolium; C528768:1-octyl-3-methylimidazolium; D000498:Allyl Compounds; D001881:Borates; D007093:Imidazoles; D052578:Ionic Liquids; D008024:Ligands; D000243:Adenosine Deaminase