Dos Santos Elias Silva, de Souza Leila Cristiane Virgens, de Assis Patrícia Nascimento, Almeida Paulo Fernando, Ramos-de-Souza Elias
a Instituto de Física, Universidade Federal da Bahia , Rua Barão de Geremoabo s/n - Ondina, Salvador , BA , 40.300-000 , Brasil .
J Biomol Struct Dyn. 2014;32(11):1780-92. doi: 10.1080/07391102.2013.834850. Epub 2013 Sep 13.
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.
硫酸盐还原菌(SRB)生物生成硫化氢气体给天然气和石油工业带来了严重的经济问题。在这一生物过程中起重要作用的关键酶之一是腺苷磷酸硫酸还原酶(APSr)。利用虚拟筛选技术,我们发现了15种新型潜在的APSr抑制剂。其中三种已被选用于分子对接和微生物学研究,这些研究表明它们对石油工业采出水中的硫酸盐还原菌具有良好的抑制作用。