Investigation of the inhibitory potential of secondary metabolites isolated from Fernandoa adenophylla against Beta-glucuronidase via molecular docking and molecular dynamics simulation studies

• Abdur Rauf ,

  Roles Conceptualization, Formal analysis, Project administration

  * E-mail: mashaljcs@yahoo.com (AR); rahaf.ajaj@adu.ac.ae (RA)

  Affiliation Department of Chemistry, University of Swabi, Swabi, Anbar, Khyber Pakhtunkhwa (K.P.), Pakistan

  https://orcid.org/0000-0003-2429-5491

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• Rahaf Ajaj ,

  Roles Conceptualization, Formal analysis, Funding acquisition

  * E-mail: mashaljcs@yahoo.com (AR); rahaf.ajaj@adu.ac.ae (RA)

  Affiliation Department of Environmental and Public Health, College of Health Sciences, Abu Dhabi University, Abu Dhabi, United Arab Emirates

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• Zuneera Akram,

  Roles Investigation

  Affiliation Department of Pharmacology, Faculty of Pharmaceutical Sciences, University of Karachi, Karachi, Pakistan

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• Majid Khan,

  Roles Methodology

  Affiliation Department of Biochemistry, Abbottabad University of Science & Technology, Abbottabad, Pakistan

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• Abdul Wadood,

  Roles Project administration

  Affiliation Department of Biochemistry, Abdul Wali Khan University Mardan, Mardan, KPK, Pakistan

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• Maryam Zulfat,

  Roles Supervision

  Affiliation Department of Biochemistry, Abdul Wali Khan University Mardan, Mardan, KPK, Pakistan

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• Zafar Ali Shah,

  Roles Supervision

  Affiliation Department of Agricultural Chemistry and Biochemistry, The University of Agriculture, Peshawar, Pakistan

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• Abdulhakeem S. Alamri,

  Roles Funding acquisition, Validation

  Affiliations Department of Clinical Laboratory Sciences, The Faculty of Applied Medical Sciences, Taif University, Taif, Saudi Arabia, Research Center for Health Sciences, Deanship of Graduate Studies and Scientific Research, Taif University, Taif, Saudi Arabia

  https://orcid.org/0000-0003-3174-0434

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• Walaa F. Alsanie,

  Roles Validation

  Affiliations Department of Clinical Laboratory Sciences, The Faculty of Applied Medical Sciences, Taif University, Taif, Saudi Arabia, Research Center for Health Sciences, Deanship of Graduate Studies and Scientific Research, Taif University, Taif, Saudi Arabia

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• Majid Alhomrani,

  Roles Validation

  Affiliations Department of Clinical Laboratory Sciences, The Faculty of Applied Medical Sciences, Taif University, Taif, Saudi Arabia, Research Center for Health Sciences, Deanship of Graduate Studies and Scientific Research, Taif University, Taif, Saudi Arabia

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• Humaira Hussain,

  Roles Methodology, Writing – original draft

  Affiliation Department of Biochemistry, Abbottabad University of Science & Technology, Abbottabad, Pakistan

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• Dorota Formanowicz

  Roles Methodology, Writing – review & editing

  Affiliation Chair and Department of Medical Chemistry and Laboratory Medicine, Poznan University of Medical Sciences, Poznan, Poland

  https://orcid.org/0000-0001-6691-3863

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