|
|||||
|
|
Souring control in fluid samples of oil industry using a multiple ligand simultaneous docking (MLSD) strategy |
|
| Authors: | Elias Silva dos Santos Leila Cristiane Virgens de Souza Patrícia Nascimento de Assis Elias Ramos-de-Souza |
| Affiliation: | 1. Instituto de Física, Universidade Federal da Bahia, Rua Bar?o de Geremoabo s/n, Ondina, Salvador, BA, Brazil;2. Instituto de Ciências da Saúde, Universidade Federal da Bahia, Av. Reitor Miguel Calmon, s/n – Vale do Canela, Salvador, BA, Brazil;3. Instituto Federal da Educa??o, Rua Emídio dos Santos, Barbalho, Salvador, BA, Brazil |
| Abstract: | We have used docking techniques in order to propose potential inhibitors to the enzymes adenosine phosphosulfate reductase and adenosine triphosphate sulfurylase that are responsible, among other deleterious effects, for causing souring of oil and gas reservoirs. Three candidates selected through molecular docking revealed new and improved polar and hydrophobic interactions with the above-mentioned enzymes. Microbiological laboratory assays performed subsequently corroborated the results of computer modelling that the three compounds can efficiently control the biogenic sulfide production. |
| Keywords: | souring SRB docking ATP sulfurylase APS reductase |