Anticancer derivative of the natural alkaloid, theobromine, inhibiting EGFR protein: Computer-aided drug discovery approach

• Ibrahim H. Eissa ,

  Roles Conceptualization, Project administration, Supervision, Writing – original draft

  * E-mail: Ibrahimeissa@azhar.edu.eg (IHE); ametwaly@azhar.edu.eg (AMM); hazemelkady@azhar.edu.eg (HE)

  Affiliation Faculty of Pharmacy (Boys), Pharmaceutical Medicinal Chemistry & Drug Design Department, Al-Azhar University, Cairo, Egypt

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• Reda G. Yousef,

  Roles Methodology

  Affiliation Faculty of Pharmacy (Boys), Pharmaceutical Medicinal Chemistry & Drug Design Department, Al-Azhar University, Cairo, Egypt

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• Eslam B. Elkaeed,

  Roles Formal analysis, Funding acquisition

  Affiliation Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Riyadh, Saudi Arabia

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• Aisha A. Alsfouk,

  Roles Data curation, Funding acquisition

  Affiliation Department of Pharmaceutical Sciences, College of Pharmacy, Princess Nourah Bint Abdulrahman University, Riyadh, Saudi Arabia

  https://orcid.org/0000-0003-4497-5013

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• Dalal Z. Husein,

  Roles Methodology, Validation

  Affiliation Faculty of Science, Chemistry Department, New Valley University, El-Kharja, Egypt

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• Ibrahim M. Ibrahim,

  Roles Investigation, Methodology, Validation

  Affiliation Faculty of Science, Biophysics Department, Cairo University. Cairo, Egypt

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• Mohamed S. Alesawy,

  Roles Data curation

  Affiliation Faculty of Pharmacy (Boys), Pharmaceutical Medicinal Chemistry & Drug Design Department, Al-Azhar University, Cairo, Egypt

  https://orcid.org/0000-0001-9202-1754

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• Hazem Elkady ,

  Roles Methodology, Software, Validation, Visualization

  * E-mail: Ibrahimeissa@azhar.edu.eg (IHE); ametwaly@azhar.edu.eg (AMM); hazemelkady@azhar.edu.eg (HE)

  Affiliation Faculty of Pharmacy (Boys), Pharmaceutical Medicinal Chemistry & Drug Design Department, Al-Azhar University, Cairo, Egypt

  https://orcid.org/0000-0003-0893-6703

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• Ahmed M. Metwaly

  Roles Project administration, Supervision, Writing – review & editing

  * E-mail: Ibrahimeissa@azhar.edu.eg (IHE); ametwaly@azhar.edu.eg (AMM); hazemelkady@azhar.edu.eg (HE)

  Affiliations Faculty of Pharmacy (Boys), Pharmacognosy and Medicinal Plants Department, Al-Azhar University, Cairo, Egypt, Biopharmaceutical Products Research Department, Genetic Engineering and Biotechnology Research Institute, City of Scientific Research and Technological Applications (SRTA-City), Alexandria, Egypt

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