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Study of jack bean urease interaction with luteolin by the extended solvation model and docking simulation

  • Received: 16 July 2020 Accepted: 26 September 2020 Published: 12 October 2020
  • 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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  • 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.


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    Conflict of interest



    The authors declare no conflict of interest.

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