Computational evaluation of efflux pump homologues and lignans as potent inhibitors against multidrug-resistant Salmonella typhi

• Iqra Shafique ,

  Contributed equally to this work with: Iqra Shafique, Mehak Rafiq, Nosheen Fatima Rana, Tahreem Tanweer

  Roles Conceptualization, Formal analysis, Investigation, Methodology, Writing – original draft, Writing – review & editing

  Affiliation Department of Biomedical Engineering and Sciences, School of Mechanical & Manufacturing Engineering, National University of Science & Technology, Islamabad, Pakistan

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• Mehak Rafiq ,

  Contributed equally to this work with: Iqra Shafique, Mehak Rafiq, Nosheen Fatima Rana, Tahreem Tanweer

  Roles Conceptualization, Formal analysis, Investigation, Methodology, Project administration, Supervision, Writing – original draft

  * E-mail: nosheen.fatima@smme.nust.edu.pk (NFR); mehak@sines.edu.pk (MR)

  Affiliation School of Interdisciplinary Engineering & Sciences (SINES), National University of Science & Technology, Islamabad, Pakistan

  https://orcid.org/0000-0003-1084-6782

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• Nosheen Fatima Rana ,

  Contributed equally to this work with: Iqra Shafique, Mehak Rafiq, Nosheen Fatima Rana, Tahreem Tanweer

  Roles Conceptualization, Formal analysis, Investigation, Methodology, Software, Supervision, Writing – original draft

  * E-mail: nosheen.fatima@smme.nust.edu.pk (NFR); mehak@sines.edu.pk (MR)

  Affiliation Department of Biomedical Engineering and Sciences, School of Mechanical & Manufacturing Engineering, National University of Science & Technology, Islamabad, Pakistan

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• Farid Menaa ,

  Roles Investigation, Methodology, Validation, Visualization, Writing – original draft

  ¶‡FM, FA, AA, SMA, ASA and MBEM also contributed equally to this work.

  Affiliation Department of Medicine and Nanomedicine, California Innovations Corporation, San Diego, CA, United States of America

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• Fatemah Almalki ,

  Roles Formal analysis, Investigation, Methodology, Project administration, Writing – review & editing

  ¶‡FM, FA, AA, SMA, ASA and MBEM also contributed equally to this work.

  Affiliation Department of Biology, College of Science and Humanities, Shaqra University, Al Quwaiiyah, Saudi Arabia

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• Alya Aljuaid ,

  Roles Formal analysis, Investigation, Methodology, Project administration, Software

  ¶‡FM, FA, AA, SMA, ASA and MBEM also contributed equally to this work.

  Affiliation Department of Biology, College of Science and Humanities, Shaqra University, Al Quwaiiyah, Saudi Arabia

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• Sulaiman Mohammed Alnasser ,

  Roles Conceptualization, Formal analysis, Investigation, Methodology, Software, Writing – review & editing

  ¶‡FM, FA, AA, SMA, ASA and MBEM also contributed equally to this work.

  Affiliation Department of Pharmacology, Unaizah College of Pharmacy, Qassim University, Buraydah, Saudi Arabia

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• Amenah S. Alotaibi ,

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

  ¶‡FM, FA, AA, SMA, ASA and MBEM also contributed equally to this work.

  Affiliation Department of Biology, Genomic & Biotechnology Unit, Faculty of Science, University of Tabuk, Tabuk, Saudi Arabia

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• Madahiah Bint E. Masood ,

  Roles Formal analysis, Investigation, Software, Validation, Visualization, Writing – review & editing

  ¶‡FM, FA, AA, SMA, ASA and MBEM also contributed equally to this work.

  Affiliation School of Interdisciplinary Engineering & Sciences (SINES), National University of Science & Technology, Islamabad, Pakistan

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• Tahreem Tanweer

  Contributed equally to this work with: Iqra Shafique, Mehak Rafiq, Nosheen Fatima Rana, Tahreem Tanweer

  Roles Formal analysis, Investigation, Methodology, Writing – original draft, Writing – review & editing

  Affiliation Department of Biomedical Engineering and Sciences, School of Mechanical & Manufacturing Engineering, National University of Science & Technology, Islamabad, Pakistan

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