Poria cocos compounds targeting neuropeptide Y1 receptor (Y₁R) for weight management: A computational ligand- and structure-based study with molecular dynamics simulations identified beta-amyrin acetate as a putative Y₁R inhibitor

• Ann Rann Wong,

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

  Affiliation School of Health and Biomedical Sciences, RMIT University, Bundoora, Victoria, Australia

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• Andrew Hung,

  Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Supervision, Validation, Writing – review & editing

  Affiliation School of Science, RMIT University, Melbourne, Victoria, Australia

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• Angela Wei Hong Yang,

  Roles Conceptualization, Investigation, Methodology, Supervision, Validation, Writing – review & editing

  Affiliation School of Health and Biomedical Sciences, RMIT University, Bundoora, Victoria, Australia

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• Harsharn Gill,

  Roles Conceptualization, Methodology, Supervision, Validation, Writing – review & editing

  Affiliation School of Science, RMIT University, Melbourne, Victoria, Australia

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• George Binh Lenon

  Roles Conceptualization, Funding acquisition, Investigation, Methodology, Validation, Writing – review & editing

  * E-mail: george.lenon@rmit.edu.au

  Affiliation School of Health and Biomedical Sciences, RMIT University, Bundoora, Victoria, Australia

  https://orcid.org/0000-0002-1315-5242

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