Research article
Special Issues
Study of jack bean urease interaction with luteolin by the extended solvation model and docking simulation
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Department of Chemistry, Imam Khomeini International University, Qazvin, Iran
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Department of Cell and Molecular Sciences, Cellular and Molecular Research Center, Qazvin University
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Received:
16 July 2020
Accepted:
26 September 2020
Published:
12 October 2020
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In this study, the interaction between Luteolin and urease was made at 300 K in aqueous buffer solutions using isothermal titration calorimetry. The extended solvation model was used to calculate the solvation parameters. Moreover, to determine the interaction of Luteolin with Jack Bean Urease (JBU), a molecular docking process was performed. The purpose of this investigation was to measure the inhibitory effects of Luteolin on the activity and structure of urease. Molecular docking analysis confirmed the extended solvation model.
Citation: Maryam Mazinani, Gholamreza Rezaei Behbehani, Nematollah Gheibi, Alireza Farasat. Study of jack bean urease interaction with luteolin by the extended solvation model and docking simulation[J]. AIMS Biophysics, 2020, 7(4): 429-435. doi: 10.3934/biophy.2020029
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Abstract
In this study, the interaction between Luteolin and urease was made at 300 K in aqueous buffer solutions using isothermal titration calorimetry. The extended solvation model was used to calculate the solvation parameters. Moreover, to determine the interaction of Luteolin with Jack Bean Urease (JBU), a molecular docking process was performed. The purpose of this investigation was to measure the inhibitory effects of Luteolin on the activity and structure of urease. Molecular docking analysis confirmed the extended solvation model.
Conflict of interest
The authors declare no conflict of interest.
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