Molecular docking and MD simulations predicted quercetin as a potent human interleukin-1 beta (hIL1β) inhibitor for improved endodontic disease management

• Nezar Boreak ,

  Roles Conceptualization, Funding acquisition, Investigation, Project administration, Writing – original draft

  * E-mail: nboraak@jazanu.edu.sa

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

  https://orcid.org/0000-0001-9017-9224

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• Shroog Ali Almasoudi,

  Roles Conceptualization, Investigation, Project administration

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

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• Abdulelah Alharbi,

  Roles Conceptualization, Writing – review & editing

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

  https://orcid.org/0009-0006-0070-486X

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• Mona Judayba,

  Roles Visualization, Writing – review & editing

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

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• Shahd Tahrei,

  Roles Formal analysis, Visualization, Writing – review & editing

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

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• Atyaf Abu eishah,

  Roles Formal analysis, Visualization, Writing – review & editing

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

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• Taghreed Ahmed Madkhali,

  Roles Funding acquisition

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

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• Mashael Ali Hattan,

  Roles Funding acquisition

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

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• Maryam Hassan Majrashi,

  Roles Investigation

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

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• Huda Ali Daak,

  Roles Methodology

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

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• Amani Hakami

  Roles Methodology

  Affiliation Department of Restorative Dental Sciences, College of Dentistry, Jazan University, Jazan, Saudi Arabia

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