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

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Title: Molecular docking and MD simulations predicted quercetin as a potent human interleukin-1 beta (hIL1β) inhibitor for improved endodontic disease management.
Authors: Boreak, Nezar1 (AUTHOR) nboraak@jazanu.edu.sa, Almasoudi, Shroog Ali1 (AUTHOR), Alharbi, Abdulelah1 (AUTHOR), Judayba, Mona1 (AUTHOR), Tahrei, Shahd1 (AUTHOR), eishah, Atyaf Abu1 (AUTHOR), Madkhali, Taghreed Ahmed1 (AUTHOR), Hattan, Mashael Ali1 (AUTHOR), Majrashi, Maryam Hassan1 (AUTHOR), Daak, Huda Ali1 (AUTHOR), Hakami, Amani1 (AUTHOR)
Source: PLoS ONE. 12/10/2025, Vol. 20 Issue 12, p1-17. 17p.
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  Data: Molecular docking and MD simulations predicted quercetin as a potent human interleukin-1 beta (hIL1β) inhibitor for improved endodontic disease management.
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  Data: <searchLink fieldCode="JN" term="%22PLoS+ONE%22">PLoS ONE</searchLink>. 12/10/2025, Vol. 20 Issue 12, p1-17. 17p.
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