Cheminformatics-driven discovery of natural isoquinoline alkaloid inhibitors of Beta-secretase I for Alzheimer’s management

• Iqra Ahmad ,

  Contributed equally to this work with: Iqra Ahmad, Sara Waheed, Bader S. Alotaibi

  Roles Formal analysis, Methodology, Writing – original draft

  Affiliation Department of Biochemistry, Bahauddin Zakariya University, Multan, Pakistan

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• Sara Waheed ,

  Contributed equally to this work with: Iqra Ahmad, Sara Waheed, Bader S. Alotaibi

  Roles Formal analysis, Writing – original draft

  Affiliation Department of Biochemistry, Bahauddin Zakariya University, Multan, Pakistan

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• Bader S. Alotaibi ,

  Contributed equally to this work with: Iqra Ahmad, Sara Waheed, Bader S. Alotaibi

  Roles Formal analysis, Writing – original draft

  Affiliation Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Al- Quwayiyah, Shaqra University, Riyadh, Saudi Arabia

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• Sumra Wajid Abbasi,

  Roles Investigation, Methodology, Software

  Affiliation Department of Biological Sciences, National University of Medical Sciences, Rawalpindi, Pakistan

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• Muhammad Umer Khan,

  Roles Software, Validation, Visualization

  Affiliation Institute of Molecular Biology and Biotechnology, The University of Lahore, Lahore, Pakistan

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• Faiz Ur Rahman,

  Roles Formal analysis, Visualization, Writing – original draft

  Affiliation Department of Zoology, University of Shangla, Swat, Khyber Pakhtunkhwa, Pakistan

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• Hanna Dib,

  Roles Software, Validation, Visualization, Writing – original draft

  Affiliation College of Engineering and Technology, American University of the Middle East, Kuwait

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• Khaled Fahmi Fawy,

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

  Affiliation Department of Chemistry, Faculty of Science, Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha, Saudi Arabia

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• Umar Nishan,

  Roles Data curation, Writing – review & editing

  Affiliation Department of Chemistry, Kohat University of Science & Technology, Kohat, Pakistan

  https://orcid.org/0000-0002-0106-3068

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• Abid Ali,

  Roles Resources, Software, Validation, Writing – review & editing

  Affiliation Department of Zoology, Abdul Wali Khan University Mardan, Mardan, Pakistan

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• Aqal Zaman ,

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

  * E-mail: aqalzaman@bzu.edu.pk (AZ); mohib@bzu.edu.pk, mohibusb@gmail.com (MS)

  Affiliations Department of Biochemistry, Bahauddin Zakariya University, Multan, Pakistan, Department of Microbiology & Molecular Genetics, Bahauddin Zakariya University, Multan, Pakistan

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• Mohibullah Shah

  Roles Conceptualization, Methodology, Project administration, Supervision, Writing – review & editing

  * E-mail: aqalzaman@bzu.edu.pk (AZ); mohib@bzu.edu.pk, mohibusb@gmail.com (MS)

  Affiliations Department of Biochemistry, Bahauddin Zakariya University, Multan, Pakistan, Department of Animal Science, Federal University of Ceara, Fortaleza, Brazil

  https://orcid.org/0000-0001-6126-7102

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