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

Maryam Mazinani | Zendy; Gholamreza Rezaei Behbehani | Zendy; Nematollah Gheibi | Zendy; Alireza Farasat | Zendy

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

Author(s) -

Maryam Mazinani,

Gholamreza Rezaei Behbehani,

Nematollah Gheibi,

Alireza Farasat

Publication year - 2020

Publication title -

aims biophysics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.545

H-Index - 12

ISSN - 2377-9098

DOI - 10.3934/biophy.2020029

Subject(s) - solvation , urease , isothermal titration calorimetry , chemistry , luteolin , docking (animal) , computational chemistry , molecule , organic chemistry , enzyme , medicine , nursing , antioxidant , quercetin

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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