Unrevealing the multitargeted potency of 3-1-BCMIYPPA against lung cancer structural maintenance and suppression proteins through pharmacokinetics, QM-DFT, and multiscale MD simulation studies

• Mohammed Ali Alshehri,

  Roles Conceptualization, Formal analysis, Funding acquisition, Methodology, Writing – original draft

  Affiliation Department of Clinical Laboratory Sciences, Faculty of Applied Medical Sciences, Najran University, Najran, Kingdom of Saudi Arabia

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• Saeed A. Asiri,

  Roles Investigation, Writing – original draft, Writing – review & editing

  Affiliation Department of Clinical Laboratory Sciences, Faculty of Applied Medical Sciences, Najran University, Najran, Kingdom of Saudi Arabia

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• Nawal Helmi,

  Roles Data curation, Formal analysis, Writing – original draft

  Affiliation Department of Biochemistry, College of Science, University of Jeddah, Jeddah, Kingdom of Saudi Arabia

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• Hanadi M. Baeissa,

  Roles Data curation, Investigation, Methodology, Writing – original draft

  Affiliation Department of Biological Science, College of Science, University of Jeddah, Jeddah, Kingdom of Saudi Arabia

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• Abdullah Hamadi,

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

  Affiliation Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, University of Tabuk, Tabuk, Kingdom of Saudi Arabia

  https://orcid.org/0000-0002-1095-5455

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• Abdulrahman Alzahrani,

  Roles Resources, Software, Validation, Writing – original draft

  Affiliation Department of Applied Medical Sciences, Applied College, Al-Baha University, Al-Baha City, Kingdom of Saudi Arabia

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• Rashed Mohammed Alghamdi,

  Roles Conceptualization, Methodology, Writing – review & editing

  Affiliation Department of Laboratory Medicine, Faculty of Applied College, Al-Baha University, Al-Baha City, Kingdom of Saudi Arabia

  https://orcid.org/0009-0000-1592-890X

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• Misbahuddin M. Rafeeq,

  Roles Conceptualization, Project administration, Resources, Supervision

  Affiliation Department of Pharmacology, Faculty of Medicine, Rabigh. King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia

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• Zeyad M. Alharbi,

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

  Affiliation Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, University of Tabuk, Tabuk, Kingdom of Saudi Arabia

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• Mohammad Azhar Kamal

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

  * E-mail: ma.kamal@psau.edu.sa, makamal2580@gmail.com

  Affiliation Department of Pharmaceutics, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj, Kingdom of Saudi Arabia

  https://orcid.org/0000-0002-0180-3441

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