Mechanistic inhibition of herpes simplex virus-1 UL21 immune-evasion function by natural-product scaffolds: A multi-tier docking, dynamics, and energetic profiling approach

• Muhammad Suleman ,

  Contributed equally to this work with: Muhammad Suleman, Imtiaz Ali

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

  Affiliation Biomedical Research Center (BRC), QU Health, Qatar University, Doha, Qatar

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• Imtiaz Ali ,

  Contributed equally to this work with: Muhammad Suleman, Imtiaz Ali

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

  Affiliation Center for Biotechnology and Microbiology, University of Swat, Swat, Pakistan

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• Abrar Mohammad Sayaf,

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

  Affiliation School of Chemical Sciences, Universiti Sains Malaysia, Gelugor, Penang, Malaysia

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• Fakhrul Hassan,

  Roles Data curation, Investigation, Methodology, Visualization, Writing – review & editing

  Affiliation Department of Medical Laboratory Technology, Faculty of Rehabilitation and Allied Health Sciences, Riphah International University, Islamabad, Pakistan

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• Usama Ilahi,

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

  Affiliation Center for Biotechnology and Microbiology, University of Swat, Swat, Pakistan

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• Mohammed Alissa,

  Roles Formal analysis, Investigation, Methodology, Visualization, Writing – review & editing

  Affiliation Department of Medical Laboratory, College of Applied Medical Sciences, Prince Sattam bin Abdulaziz University, Al-Kharj, Saudi Arabia

  https://orcid.org/0000-0002-4045-0810

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• Sergio Crovella,

  Roles Conceptualization, Investigation, Project administration, Validation, Writing – review & editing

  Affiliation Department of Biomedical Sciences, College of Health Sciences, QU Health, Qatar University, Doha, Qatar

  https://orcid.org/0000-0001-8493-1168

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• Abdullah A. Shaito ,

  Roles Conceptualization, Investigation, Project administration, Resources, Supervision, Writing – review & editing

  * E-mail: hyassine@qu.edu.qa (HMY); abdshaito@qu.edu.qa (AAS)

  Affiliations Biomedical Research Center (BRC), QU Health, Qatar University, Doha, Qatar, Department of Biomedical Sciences, College of Health Sciences, QU Health, Qatar University, Doha, Qatar

  https://orcid.org/0000-0003-3524-7962

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• Hadi M. Yassine

  Roles Conceptualization, Investigation, Project administration, Supervision, Validation, Writing – review & editing

  * E-mail: hyassine@qu.edu.qa (HMY); abdshaito@qu.edu.qa (AAS)

  Affiliations Biomedical Research Center (BRC), QU Health, Qatar University, Doha, Qatar, Department of Biomedical Sciences, College of Health Sciences, QU Health, Qatar University, Doha, Qatar

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