Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore sites

• Sarkar M. A. Kawsar ,

  Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Visualization, Writing – original draft, Writing – review & editing

  * E-mail: akawsar@cu.ac.bd (SMAK); yns.elbakri@gmail.com (YEB); sosaid@alfaisal.edu (SGS)

  Affiliation Faculty of Science, Department of Chemistry, Laboratory of Carbohydrate and Nucleoside Chemistry (LCNC), University of Chittagong, Chittagong, Bangladesh

  https://orcid.org/0000-0001-7964-9117

  ⨯
• Mohammed A. Hosen,

  Roles Conceptualization, Formal analysis, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Faculty of Science, Department of Chemistry, Laboratory of Carbohydrate and Nucleoside Chemistry (LCNC), University of Chittagong, Chittagong, Bangladesh

  ⨯
• Sajjad Ahmad,

  Roles Conceptualization, Supervision, Writing – original draft, Writing – review & editing

  Affiliation Department of Health and Biological Sciences, Abasyn University, Peshawar, Pakistan

  ⨯
• Youness El Bakri ,

  Roles Conceptualization, Data curation, Methodology, Visualization, Writing – original draft

  * E-mail: akawsar@cu.ac.bd (SMAK); yns.elbakri@gmail.com (YEB); sosaid@alfaisal.edu (SGS)

  Affiliation Department of Theoretical and Applied Chemistry, South Ural State University, Chelyabinsk, Russian Federation

  https://orcid.org/0000-0002-5759-6568

  ⨯
• Hamid Laaroussi,

  Roles Conceptualization, Methodology, Resources, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Faculty of Sciences, Laboratory of Applied Chemistry & Environment, Mohammed Premier University, Oujda, Morocco

  https://orcid.org/0000-0002-8502-6239

  ⨯
• Taibi Ben Hadda,

  Roles Conceptualization, Methodology, Visualization, Writing – original draft, Writing – review & editing

  Affiliations Faculty of Sciences, Laboratory of Applied Chemistry & Environment, Mohammed Premier University, Oujda, Morocco, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Umm AlQura University, Makkah, Saudi Arabia

  ⨯
• Faisal A. Almalki,

  Roles Conceptualization, Data curation, Methodology, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Umm AlQura University, Makkah, Saudi Arabia

  ⨯
• Yasuhiro Ozeki,

  Roles Conceptualization, Visualization, Writing – original draft, Writing – review & editing

  Affiliation School of Sciences, Yokohama City University, Yokohama, Japan

  ⨯
• Souraya Goumri-Said

  Roles Supervision, Visualization, Writing – original draft, Writing – review & editing

  * E-mail: akawsar@cu.ac.bd (SMAK); yns.elbakri@gmail.com (YEB); sosaid@alfaisal.edu (SGS)

  Affiliation Physics Department, College of Science, Alfaisal University, Riyadh, Saudi Arabia

  https://orcid.org/0000-0002-9333-7862

  ⨯