Study of jack bean urease interaction with luteolin by the extended solvation model and docking simulation
| Autor: | Maryam Mazinani, Gholamreza Rezaei Behbehani, Nematollah Gheibi, Alireza Farasat |
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| Rok vydání: | 2020 |
| Předmět: |
Urease
biology Chemistry Biophysics Molecular Docking Analysis Solvation Solvation model Isothermal titration calorimetry Biochemistry isothermal titration calorimetry inhibitor chemistry.chemical_compound lcsh:Biology (General) Aqueous buffer Structural Biology Docking (molecular) Computational chemistry the extended solvation theory docking biology.protein luteolin lcsh:QH301-705.5 Molecular Biology Luteolin |
| Zdroj: | AIMS Biophysics, Vol 7, Iss 4, Pp 429-435 (2020) |
| ISSN: | 2377-9098 |
| DOI: | 10.3934/biophy.2020029 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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