Unveiling the potential of phytochemicals to inhibit nuclear receptor binding SET domain protein 2 for cancer: Pharmacophore screening, molecular docking, ADME properties, and molecular dynamics simulation investigations

• Gamal A. Mohamed ,

  Roles Conceptualization, Funding acquisition, Methodology, Resources, Supervision, Writing – original draft

  * E-mail: gahussein@kau.edu.sa (GAM); sabrin.ibrahim@bmc.edu.sa (SRMI)

  Affiliation Department of Natural Products and Alternative Medicine, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia

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• Hossam M. Abdallah,

  Roles Data curation, Resources, Validation, Writing – review & editing

  Affiliation Department of Natural Products and Alternative Medicine, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia

  https://orcid.org/0000-0002-0234-7492

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• Ikhlas A. Sindi,

  Roles Data curation, Validation, Writing – review & editing

  Affiliation Department of Biology, Faculty of Science, King Abdulaziz University, Jeddah, Saudi Arabia

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• Sabrin R. M. Ibrahim ,

  Roles Conceptualization, Methodology, Writing – original draft

  * E-mail: gahussein@kau.edu.sa (GAM); sabrin.ibrahim@bmc.edu.sa (SRMI)

  Affiliation Department of Chemistry, Preparatory Year Program, Batterjee Medical College, Jeddah, Saudi Arabia

  https://orcid.org/0000-0002-6858-7560

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• Abdulrahim A. Alzain

  Roles Conceptualization, Methodology, Software, Writing – original draft

  Affiliation Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Wad Madani, Sudan

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