Drug repurposing against fucosyltransferase-2 via docking, STD-NMR, and molecular dynamic simulation studies

• Muhammad Atif,

  Roles Formal analysis, Methodology, Validation, Writing – original draft

  Affiliation International Center for Chemical and Biological Sciences, H. E. J. Research Institute of Chemistry, University of Karachi, Karachi, Pakistan

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• Humaira Zafar ,

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

  * E-mail: iqbal.choudhary@iccs.edu (MIC); hamramalik@gmail.com, humaira.zafar@iccs.edu (HZ)

  Affiliation Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan

  https://orcid.org/0000-0003-2104-3862

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• Atia-tul- Wahab,

  Roles Methodology, Writing – original draft

  Affiliation Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan

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• M. Iqbal Choudhary

  Roles Conceptualization, Project administration, Resources, Supervision, Validation, Writing – original draft

  * E-mail: iqbal.choudhary@iccs.edu (MIC); hamramalik@gmail.com, humaira.zafar@iccs.edu (HZ)

  Affiliations International Center for Chemical and Biological Sciences, H. E. J. Research Institute of Chemistry, University of Karachi, Karachi, Pakistan, Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan, Department of Biochemistry, Faculty of Science, King Abdulaziz University, Jeddah, Saudi Arabia

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