title: In vitro screening for inhibitor of cloned Drosophila melanogaster tyramine-β-hydroxylase and docking studies.
abstract: Biogenic amines are common biologically active substances extended within the whole animal kingdom where they play vital roles as signal transducer as well as regulator of cell functions. One of these biogenic amines called octopamine (OA) is synthesized from tyramine (TA) by the catalysis of tyramine-β-hydroxylase (TβH) originated in the insect nervous system. Both TA and OA act as neurotransmitters, neurohormones and neuromodulators in the arthropod nervous system. Herein, the inhibitory activity of 1-arylimidazole-2(3H)-thiones (AITs) was tested on cloned Drosophila tyramine-β-hydroxylase (DmTβH) expressed in Bombyx mori strain. Radiolabelled3H-TA was used to analyze the activity of AITs exhibited inhibitory effects on DmTβH, whose ID50values range from 0.02 to 2511nM where DmTβH was inhibited in a dose-dependent manner at pH 7.6 and 25°C during a 30min of incubation. To understand the catalytic role of the TβH, a three dimensional structure of the TβH from Drosophila melanogaster was constructed by homology modeling using the Phyre2 web server with 100% confidence. The modeled three-dimensional structure of TβH was used to perform the docking study with AITs. This may give more insights to precise design of inhibitors for TβH to control insect's population.
authors.affiliation: Laboratory of Pesticide Chemistry, Division of Molecular Biosciences, Department of Bioscience and Biotechnology, Faculty of Agriculture, Kyushu University, Fukuoka 812-8581, Japan; Department of Genetic Engineering and Biotechnology, Jessore University of Science and Technology, Jessore, Bangladesh.
authors.forename: Md Nazmul
authors.initials: MN
authors.lastname: Hasan
authors.affiliation: Department of Genetic Engineering and Biotechnology, Shahjalal University of Science and Technology, Sylhet, Bangladesh.
authors.forename: Mohammad Jakir
authors.initials: MJ
authors.lastname: Hosen
authors.affiliation: Institute of Molecular Genetics of the ASCR, v. v. i., Vídeňská 1083, 142 20 Prague 4, Czech Republic.
authors.forename: Prasoon Kumar
authors.initials: PK
authors.lastname: Thakur
authors.affiliation: Department of Genetic Engineering and Biotechnology, Shahjalal University of Science and Technology, Sylhet, Bangladesh.
authors.forename: Ruhshan Ahmed
authors.initials: RA
authors.lastname: Abir
authors.affiliation: Department of Microbiology, University of Manitoba, Winnipeg R3T 2N2, Canada.
authors.forename: Abdullah
authors.initials: A
authors.lastname: Zubaer
authors.affiliation: Laboratory of Pesticide Chemistry, Division of Molecular Biosciences, Department of Bioscience and Biotechnology, Faculty of Agriculture, Kyushu University, Fukuoka 812-8581, Japan.
authors.forename: Guo
authors.initials: G
authors.lastname: Renkai
authors.affiliation: Laboratory of Pesticide Chemistry, Division of Molecular Biosciences, Department of Bioscience and Biotechnology, Faculty of Agriculture, Kyushu University, Fukuoka 812-8581, Japan.
authors.forename: Mayumi
authors.initials: M
authors.lastname: Yoshida
authors.affiliation: Laboratory of Pesticide Chemistry, Division of Molecular Biosciences, Department of Bioscience and Biotechnology, Faculty of Agriculture, Kyushu University, Fukuoka 812-8581, Japan; Laboratory for Biotechnology and Environmental Science, Graduate School of Science and Technology, Kumamoto University, Kumamoto 860-8555, Japan.
authors.forename: Hiroto
authors.initials: H
authors.lastname: Ohta
authors.affiliation: Laboratory of Silkworm Science, Kyushu University Graduate School of Bioresource and Bioenvironmental Sciences, Fukuoka, Japan.
authors.forename: Jae Man
authors.initials: JM
authors.lastname: Lee
authors.affiliation: Laboratory of Silkworm Science, Kyushu University Graduate School of Bioresource and Bioenvironmental Sciences, Fukuoka, Japan.
authors.forename: Takahiro
authors.initials: T
authors.lastname: Kusakabe
authors.affiliation: Laboratory of Pesticide Chemistry, Division of Molecular Biosciences, Department of Bioscience and Biotechnology, Faculty of Agriculture, Kyushu University, Fukuoka 812-8581, Japan. Electronic address: ahirasim@agr.kyushu-u.ac.jp.
authors.forename: Akinori
authors.initials: A
authors.lastname: Hirashima
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D020134:Catalytic Domain; D029721:Drosophila Proteins / Q000037:antagonists & inhibitors* / Q000737:chemistry; D004331:Drosophila melanogaster / Q000201:enzymology; D004791:Enzyme Inhibitors / Q000737:chemistry*; D006899:Mixed Function Oxygenases / Q000037:antagonists & inhibitors* / Q000737:chemistry; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D011485:Protein Binding; D000072757:Protein Conformation, beta-Strand
chemical_list: D029721:Drosophila Proteins; D004791:Enzyme Inhibitors; D006899:Mixed Function Oxygenases; C023205:tyramine beta-hydroxylase
keywords: 1-Arylimidazole-2(3H)-thiones; Cloned DmTβH; Homology modeling; Inhibition; Molecular docking; Tyramine-β-hydroxylase