Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening

• Kamonpan Sanachai,

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

  Affiliation Center of Excellence in Computational Chemistry (CECC), Department of Chemistry, Chulalongkorn University, Bangkok, Thailand

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• Tuanjai Somboon,

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

  Affiliation Center of Excellence in Biocatalyst and Sustainable Biotechnology, Department of Biochemistry, Chulalongkorn University, Bangkok, Thailand

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• Patcharin Wilasluck,

  Roles Data curation, Investigation, Methodology, Resources, Validation, Writing – review & editing

  Affiliations Center of Excellence for Molecular Biology and Genomics of Shrimp, Department of Biochemistry, Chulalongkorn University, Bangkok, Thailand, Molecular Crop Research Unit, Department of Biochemistry, Chulalongkorn University, Bangkok, Thailand

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• Peerapon Deetanya,

  Roles Data curation, Investigation, Methodology, Resources, Validation, Writing – review & editing

  Affiliations Center of Excellence for Molecular Biology and Genomics of Shrimp, Department of Biochemistry, Chulalongkorn University, Bangkok, Thailand, Molecular Crop Research Unit, Department of Biochemistry, Chulalongkorn University, Bangkok, Thailand

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• Peter Wolschann,

  Roles Formal analysis, Software, Supervision, Validation, Visualization, Writing – review & editing

  Affiliations Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna, Vienna, Austria, Institute of Theoretical Chemistry, University of Vienna, Vienna, Austria

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• Thierry Langer,

  Roles Formal analysis, Software, Supervision, Validation, Visualization, Writing – review & editing

  Affiliation Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna, Vienna, Austria

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• Vannajan Sanghiran Lee,

  Roles Formal analysis, Supervision, Validation, Visualization, Writing – review & editing

  Affiliation Department of Chemistry, University of Malaya, Kuala Lumpur, Malaysia

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• Kittikhun Wangkanont ,

  Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

  * E-mail: kittikhun.w@chula.ac.th (KW); thanyada.r@chula.ac.th (TR); supot.h@chula.ac.th (SH)

  Affiliations Center of Excellence for Molecular Biology and Genomics of Shrimp, Department of Biochemistry, Chulalongkorn University, Bangkok, Thailand, Molecular Crop Research Unit, Department of Biochemistry, Chulalongkorn University, Bangkok, Thailand

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• Thanyada Rungrotmongkol ,

  Roles Conceptualization, Formal analysis, Funding acquisition, Project administration, Software, Supervision, Validation, Visualization, Writing – review & editing

  * E-mail: kittikhun.w@chula.ac.th (KW); thanyada.r@chula.ac.th (TR); supot.h@chula.ac.th (SH)

  Affiliations Center of Excellence in Biocatalyst and Sustainable Biotechnology, Department of Biochemistry, Chulalongkorn University, Bangkok, Thailand, Program in Bioinformatics and Computational Biology, Graduate School, Chulalongkorn University, Bangkok, Thailand

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• Supot Hannongbua

  Roles Conceptualization, Formal analysis, Funding acquisition, Project administration, Software, Supervision, Validation, Writing – review & editing

  * E-mail: kittikhun.w@chula.ac.th (KW); thanyada.r@chula.ac.th (TR); supot.h@chula.ac.th (SH)

  Affiliation Center of Excellence in Computational Chemistry (CECC), Department of Chemistry, Chulalongkorn University, Bangkok, Thailand

  https://orcid.org/0000-0001-9008-2748

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