Integrated study of Quercetin as a potent SARS-CoV-2 RdRp inhibitor: Binding interactions, MD simulations, and In vitro assays

• Ahmed M. Metwaly ,

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

  * E-mail: ametwaly@azhar.edu.eg (AMM); ekaeed@um.edu.sa (EBE)

  Affiliation Pharmacognosy and Medicinal Plants Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, Egypt

  https://orcid.org/0000-0001-8566-1980

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• Esmail M. El-Fakharany,

  Roles Investigation

  Affiliations Protein Research Department, Genetic Engineering and Biotechnology Research Institute (GEBRI), City of Scientific Research and Technological Applications (SRTA-City), New Borg El-Arab City, Alexandria, Egypt, Pharmaceutical and Fermentation Industries Development Centre (PFIDC), City of Scientific Research and Technological Applications (SRTA-City), New Borg Al-Arab, Alexandria, Egypt, Pharos University in Alexandria, Alexandria, Egypt

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• Aisha A. Alsfouk,

  Roles Funding acquisition, Investigation

  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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• Ibrahim M. Ibrahim,

  Roles Software

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

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• Eslam B. Elkaeed ,

  Roles Software, Writing – review & editing

  * E-mail: ametwaly@azhar.edu.eg (AMM); ekaeed@um.edu.sa (EBE)

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

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• Ibrahim. H. Eissa

  Roles Conceptualization, Investigation, Software

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

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