title: Novel potential inhibitors for adenylylsulfate reductase to control souring of water in oil industries.
abstract: The biogenic production of hydrogen sulfide gas by sulfate-reducing bacteria (SRB) causes serious economic problems for natural gas and oil industry. One of the key enzymes important in this biologic process is adenosine phosphosulfate reductase (APSr). Using virtual screening technique we have discovered 15 compounds that are novel potential APSr inhibitors. Three of them have been selected for molecular docking and microbiological studies which have shown good inhibition of SRB in the produced water from the oil industry.
authors.affiliation: a Instituto de Física, Universidade Federal da Bahia , Rua Barão de Geremoabo s/n - Ondina, Salvador , BA , 40.300-000 , Brasil .
authors.forename: Elias Silva
authors.initials: ES
authors.lastname: Dos Santos
authors.forename: Leila Cristiane Virgens
authors.initials: LC
authors.lastname: de Souza
authors.forename: Patrícia Nascimento
authors.initials: PN
authors.lastname: de Assis
authors.forename: Paulo Fernando
authors.initials: PF
authors.lastname: Almeida
authors.forename: Elias
authors.initials: E
authors.lastname: Ramos-de-Souza
mesh_terms: D001419:Bacteria / Q000378:metabolism; D001426:Bacterial Proteins / Q000037:antagonists & inhibitors* / Q000737:chemistry; D004791:Enzyme Inhibitors / Q000737:chemistry*; D019652:Extraction and Processing Industry; D005648:Fuel Oils; D006862:Hydrogen Sulfide / Q000737:chemistry / Q000378:metabolism; D007218:Industrial Microbiology; D056004:Molecular Dynamics Simulation; D050862:Oxidoreductases Acting on Sulfur Group Donors / Q000037:antagonists & inhibitors* / Q000737:chemistry; D062065:Wastewater / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000737:chemistry*; D018508:Water Purification
chemical_list: D001426:Bacterial Proteins; D004791:Enzyme Inhibitors; D005648:Fuel Oils; D006862:Hydrogen Sulfide; D050862:Oxidoreductases Acting on Sulfur Group Donors; D062065:Wastewater; D014874:Water Pollutants, Chemical; C019618:adenylylsulfate reductase
keywords: SRB; inhibition APS reductase; souring