Molecular screening and dynamics simulation reveal potential phytocompounds in Swertia chirayita targeting the UspA1 protein of Moraxella catarrhalis for COPD therapy

• Md. Moin Uddin,

  Roles Data curation, Formal analysis, Investigation, Methodology, Visualization, Writing – original draft

  Affiliation Department of Biotechnology, Bangladesh Agricultural University, Mymensingh, Bangladesh

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• Md. Shydhur Rahman Chowdhury,

  Roles Data curation, Formal analysis, Investigation, Software, Visualization, Writing – original draft

  Affiliation Department of Pharmacy, Mawlana Bhashani Science and Technology University, Tangail, Bangladesh

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• Md. Arju Hossain,

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

  Affiliation Department of Biochemistry and Biotechnology, Khwaja Yunus Ali University, Sirajganj, Bangladesh

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• Asif Ahsan,

  Roles Data curation, Formal analysis, Investigation, Methodology, Software, Visualization, Writing – original draft

  Affiliation Department of Biotechnology, Bangladesh Agricultural University, Mymensingh, Bangladesh

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• Md. Tanvir Hossain,

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

  Affiliation Department of Biotechnology, Bangladesh Agricultural University, Mymensingh, Bangladesh

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• Abdul Barik,

  Roles Formal analysis, Investigation, Methodology, Software, Visualization, Writing – original draft

  Affiliation Department of Biotechnology, Bangladesh Agricultural University, Mymensingh, Bangladesh

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• Md. Arif Hossen,

  Roles Data curation, Formal analysis, Methodology, Software, Visualization

  Affiliation Department of Biochemistry and Molecular Biology, Mawlana Bhashani Science and Technology University, Tangail, Bangladesh

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• Md. Faisal Amin,

  Roles Data curation, Formal analysis, Software, Validation, Visualization, Writing – original draft

  Affiliation Department of Biochemistry and Molecular Biology, The University of Texas Rio Grande Valley, Edinburg, Texas, United States of America

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• Rafsan Abir,

  Roles Data curation, Formal analysis, Methodology, Software, Visualization, Writing – original draft

  Affiliation Department of Microbiology, Primeasia University, Dhaka, Bangladesh

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• Mohammad Shah Alam,

  Roles Investigation, Methodology, Project administration, Supervision, Validation, Writing – review & editing

  Affiliation Department of Anatomy and Histology, Gazipur Agricultural University, Gazipur, Bangladesh

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• Md Habibur Rahman ,

  Roles Conceptualization, Investigation, Methodology, Project administration, Resources, Validation, Writing – review & editing

  * E-mail: habib@iu.ac.bd (MHR); nazmul90@bsmrau.edu.bd (MNH)

  Affiliation Center for Advanced Bioinformatics and Artificial Intelligence Research, Department of Computer Science and Engineering, Islamic University, Kushtia, Bangladesh

  https://orcid.org/0000-0002-5068-2690

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• M. Nazmul Hoque

  Roles Conceptualization, Formal analysis, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – review & editing

  * E-mail: habib@iu.ac.bd (MHR); nazmul90@bsmrau.edu.bd (MNH)

  Affiliation Molecular Biology and Bioinformatics Laboratory, Department of Gynecology, Obstetrics and Reproductive Health, Gazipur Agricultural University, Gazipur, Bangladesh

  https://orcid.org/0000-0002-4861-0030

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