Identification of potential human pancreatic α-amylase inhibitors from natural products by molecular docking, MM/GBSA calculations, MD simulations, and ADMET analysis

• Santosh Basnet,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Resources, Software, Validation, Visualization, Writing – original draft

  Affiliation Central Department of Chemistry, Tribhuvan University, Kirtipur, Kathmandu, Nepal

  https://orcid.org/0000-0001-6009-2347

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• Madhav Prasad Ghimire ,

  Contributed equally to this work with: Madhav Prasad Ghimire, Tika Ram Lamichhane, Rajendra Adhikari, Achyut Adhikari

  Roles Formal analysis, Resources, Writing – review & editing

  Affiliation Central Department of Physics, Tribhuvan University, Kirtipur, Kathmandu, Nepal

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• Tika Ram Lamichhane ,

  Contributed equally to this work with: Madhav Prasad Ghimire, Tika Ram Lamichhane, Rajendra Adhikari, Achyut Adhikari

  Roles Formal analysis, Visualization, Writing – review & editing

  Affiliation Central Department of Physics, Tribhuvan University, Kirtipur, Kathmandu, Nepal

  https://orcid.org/0000-0002-3422-0808

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• Rajendra Adhikari ,

  Contributed equally to this work with: Madhav Prasad Ghimire, Tika Ram Lamichhane, Rajendra Adhikari, Achyut Adhikari

  Roles Formal analysis, Resources, Writing – review & editing

  Affiliation Department of Physics, Kathmandu University, Dhulikhel, Nepal

  https://orcid.org/0000-0001-6649-7097

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• Achyut Adhikari

  Contributed equally to this work with: Madhav Prasad Ghimire, Tika Ram Lamichhane, Rajendra Adhikari, Achyut Adhikari

  Roles Conceptualization, Formal analysis, Project administration, Resources, Software, Supervision, Writing – review & editing

  * E-mail: achyutraj05@gmail.com

  Affiliation Central Department of Chemistry, Tribhuvan University, Kirtipur, Kathmandu, Nepal

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