title: Replica of a fishy enzyme: structure-function analogue of trimethylamine-N-oxide reductase.
abstract: Three new complexes, [Mo(IV)O(mnt)(SS)](2-) (SS = dimethylethylenedicarboxylate (DMED), toluenedithiolate (tdt), benzenedithiolate (bdt); mnt = maleonitriledithiolate), each possessing two different dithiolene ligands, are synthesized as model of trimethylamine-N-oxide reductase. The asymmetric dithiolene ligands present in these complexes simulate the two different (P and Q) pterin coordinations in the family of DMSO reductase. These complexes reduce trimethylamine-N-oxide ((CH3)3N(+)-O(-) or TMANO), the biological substrate of trimethylamine-N-oxide reductase, to trimethylamine ((CH3)3N), responsible for the fishy smell of dead aquatic animals. The reaction kinetics of trimethylamine-N-oxide reduction by these complexes follow the Michaelis-Menten saturation kinetics. These experimental findings have been rationalized by DFT, TD-DFT level of calculations.
authors.affiliation: Department of Chemistry, Indian Institute of Technology, Kanpur, Kanpur-208016, Uttar Pradesh, India.
authors.forename: Golam
authors.initials: G
authors.lastname: Moula
authors.forename: Moumita
authors.initials: M
authors.lastname: Bose
authors.forename: Sabyasachi
authors.initials: S
authors.lastname: Sarkar
mesh_terms: D001555:Benzene Derivatives / Q000737:chemistry; D002264:Carboxylic Acids / Q000737:chemistry; D056831:Coordination Complexes / Q000737:chemistry*; D018360:Crystallography, X-Ray; D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry*; D005030:Ethylenes / Q000737:chemistry; D008744:Methylamines / Q000737:chemistry*; D008958:Models, Molecular; D008982:Molybdenum / Q000737:chemistry*; D010084:Oxidation-Reduction; D010100:Oxygen / Q000737:chemistry; D011789:Quantum Theory; D020592:Shewanella / Q000201:enzymology*; D013438:Sulfhydryl Compounds / Q000737:chemistry; D014050:Toluene / Q000031:analogs & derivatives
chemical_list: D001555:Benzene Derivatives; D002264:Carboxylic Acids; D056831:Coordination Complexes; D005030:Ethylenes; D008744:Methylamines; D013438:Sulfhydryl Compounds; C459462:maleinitriledithiolate; D014050:Toluene; D008982:Molybdenum; D003577:Cytochrome P-450 Enzyme System; C431671:tertiary amine N-oxide reductase; C005855:trimethyloxamine; D010100:Oxygen