Auto QSAR-based active learning docking for hit identification of potential inhibitors of Plasmodium falciparum Hsp90 as antimalarial agents

• Thato Matlhodi,

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

  Affiliation Department of Biochemistry, Faculty of Natural and Agricultural Science, North-West University, Mmabatho, South Africa

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• Lisema Patrick Makatsela,

  Roles Formal analysis, Writing – review & editing

  Affiliation Department of Biochemistry, Faculty of Natural and Agricultural Science, North-West University, Mmabatho, South Africa

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• Tendamudzimu Harmfree Dongola,

  Roles Formal analysis

  Affiliation Department of Biochemistry & Microbiology, University of Venda, Thohoyandou, South Africa

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• Mthokozisi Blessing Cedric Simelane,

  Roles Formal analysis, Validation

  Affiliation Department of Biochemistry, Faculty of Science, University of Johannesburg, Johannesburg, South Africa

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• Addmore Shonhai,

  Roles Formal analysis, Validation, Writing – review & editing

  Affiliation Department of Biochemistry & Microbiology, University of Venda, Thohoyandou, South Africa

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• Njabulo Joyfull Gumede,

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

  Affiliation Department of Chemical and Physical Sciences, Faculty of Natural Sciences, Walter Sisulu University (WSU), Umthatha, Eastern Cape, South Africa

  https://orcid.org/0000-0003-4213-5416

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• Fortunate Mokoena

  Roles Conceptualization, Funding acquisition, Investigation, Supervision, Writing – original draft

  * E-mail: Fortunate.Mokoena@nwu.ac.za

  Affiliation Department of Biochemistry, Faculty of Natural and Agricultural Science, North-West University, Mmabatho, South Africa

  https://orcid.org/0000-0003-0864-9157

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