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Journal of Biomolecular Structure and Dynamics Volume 32, 2014 - Issue 11
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Articles

Novel potential inhibitors for adenylylsulfate reductase to control souring of water in oil industries

Elias Silva dos SantosInstituto de Física, Universidade Federal da Bahia, Rua Barão de Geremoabo s/n – Ondina, Salvador, BA, 40.300-000, Brasil.
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Leila Cristiane Virgens de SouzaInstituto de Ciências da Saúde, Universidade Federal da Bahia, Av. Reitor Miguel Calmon, s/n – Vale do Canela, Salvador, BA, 40.300-100, Brasil.
,
Patrícia Nascimento de AssisInstituto de Ciências da Saúde, Universidade Federal da Bahia, Av. Reitor Miguel Calmon, s/n – Vale do Canela, Salvador, BA, 40.300-100, Brasil.
,
Paulo Fernando AlmeidaInstituto de Ciências da Saúde, Universidade Federal da Bahia, Av. Reitor Miguel Calmon, s/n – Vale do Canela, Salvador, BA, 40.300-100, Brasil.Correspondence[email protected]
&
Elias Ramos-de-SouzaInstituto Federal de Educação, Ciência e Tecnologia da Bahia, Campus de Salvador, Rua Emídio dos Santos s/n, Barbalho, Salvador, BA, 40.301-015, Brasil.
Pages 1780-1792 | Received 09 May 2013, Accepted 12 Aug 2013, Published online: 13 Sep 2013
 
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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.

Acknowledgments

We would like to acknowledge Dr. Ernesto Rául Caffarena for collaboration with the dynamic molecular analysis.

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