Elucidating the isorhamnetin-3-O-glucoside-iNOS interaction via molecular dynamics and Hirshfeld surface analyses

• Oussama Khibech ,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology

  * E-mail: oussama.khibech.d24@ump.ac.ma (OK); faamohammed@imamu.edu.sa (FAN)

  Affiliation Laboratory of Applied Chemistry and Environment (LCAE), University Mohammed Premier, Faculty of Science, Oujda, Morocco

  https://orcid.org/0009-0007-9407-7576

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• Haytham Bouammali,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology

  Affiliation Laboratory of Applied Chemistry and Environment (LCAE), University Mohammed Premier, Faculty of Science, Oujda, Morocco

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• Yousra Hammouti,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition

  Affiliation Laboratoire d’Amélioration des Productions Agricoles, Biotechnologie et Environnement (LAPABE), Faculté des Sciences, Université Mohammed Premier, Oujda, Morocco

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• Mohamed bouhrim,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition

  Affiliation Laboratoires TBC, Laboratory of Pharmacology, Pharmacokinetics, and Clinical Pharmacy, Faculty of Pharmaceutical and Biological Sciences, Lille, France

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• Mohammed Merzouki,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition

  Affiliation Laboratory of Applied Chemistry and Environment (LCAE), University Mohammed Premier, Faculty of Science, Oujda, Morocco

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• Said Abadi,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition

  Affiliation Laboratory of Applied Chemistry and Environment (LCAE), University Mohammed Premier, Faculty of Science, Oujda, Morocco

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• Mohammed Al-zharani,

  Roles Conceptualization, Data curation, Formal analysis

  Affiliation Biology Department, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Saudi Arabia

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• Fahd A. Nasr ,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition

  * E-mail: oussama.khibech.d24@ump.ac.ma (OK); faamohammed@imamu.edu.sa (FAN)

  Affiliation Biology Department, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Saudi Arabia

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• Ashraf Ahmed Qurtam,

  Roles Conceptualization, Data curation, Formal analysis

  Affiliation Biology Department, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Saudi Arabia

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• Boufelja Bouammalli,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition

  Affiliation Laboratory of Applied Chemistry and Environment (LCAE), University Mohammed Premier, Faculty of Science, Oujda, Morocco

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• Allal Challioui

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition

  Affiliation Laboratory of Applied Chemistry and Environment (LCAE), University Mohammed Premier, Faculty of Science, Oujda, Morocco

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