Virtual screening and molecular dynamics simulations identify repurposed drugs as potent inhibitors of Histone deacetylase 1: Implication in cancer therapeutics

• Mohammed Alrouji,

  Roles Conceptualization, Investigation, Methodology, Validation, Writing – original draft

  Affiliation Department of Medical Laboratories, College of Applied Medical Sciences, Shaqra University, Shaqra, Saudi Arabia

  https://orcid.org/0000-0001-9645-0572

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• Sabina Yasmin,

  Roles Data curation, Formal analysis, Methodology, Supervision, Validation, Writing – original draft

  Affiliation Department of Pharmaceutical Chemistry, College of Pharmacy, King Khalid University, Abha, Saudi Arabia

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• Mohammed S. Alshammari,

  Roles Data curation, Writing – review & editing

  Affiliation Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Shaqra University, Shaqra, Saudi Arabia

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• Fahad A. Alhumaydhi,

  Roles Data curation, Formal analysis, Methodology, Validation, Writing – review & editing

  Affiliation Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, Saudi Arabia

  https://orcid.org/0000-0002-0151-8309

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• Sharaf E. Sharaf,

  Roles Data curation, Formal analysis, Methodology, Validation, Visualization, Writing – review & editing

  Affiliation Pharmaceutical Sciences Department, College of Pharmacy, Umm Al-Qura University, Makkah, Saudi Arabia

  https://orcid.org/0000-0002-0679-6586

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• Moyad Shahwan,

  Roles Data curation, Formal analysis, Investigation, Methodology, Writing – review & editing

  Affiliations Pharmaceutical Sciences Department, College of Pharmacy, Umm Al-Qura University, Makkah, Saudi Arabia, Department of Clinical Sciences, College of Pharmacy and Health Sciences, Ajman University, Ajman, United Arab Emirates, Center of Medical and Bio-Allied Health Sciences Research (CMBHSR), Ajman University, Ajman, United Arab Emirates

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• Anas Shamsi

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Writing – original draft

  * E-mail: anas.shamsi18@gmail.com

  Affiliation Center of Medical and Bio-Allied Health Sciences Research (CMBHSR), Ajman University, Ajman, United Arab Emirates

  https://orcid.org/0000-0001-7055-7056

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