Structure-based virtual screening and molecular dynamics of potential inhibitors targeting sodium-bile acid co-transporter of carcinogenic liver fluke Clonorchis sinensis

• Won Gi Yoo,

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

  Affiliations Department of Basic Science, Chung-Ang University College of Medicine, Seoul, Republic of Korea, Department of Parasitology and Tropical Medicine, and Institute of Health Sciences, Gyeongsang National University College of Medicine, Jinju, Republic of Korea, Department of Convergence Medical Science, Gyeongsang National University, Jinju, Republic of Korea

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• Fuhong Dai,

  Roles Data curation, Funding acquisition, Investigation, Methodology

  Affiliation Department of Parasitology, School of Biology and Basic Medical Sciences, Suzhou Medical College of Soochow University, Suzhou, Jiangsu, PR China

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• Jhang Ho Pak,

  Roles Validation, Writing – review & editing

  Affiliation Department of Convergence Medicine, University of Ulsan College of Medicine and Asan Institute for Life Sciences, Asan Medical Center, Seoul, Republic of Korea

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• Sung-Jong Hong,

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

  Affiliations Department of Basic Science, Chung-Ang University College of Medicine, Seoul, Republic of Korea, Convergence Research Center for Insect Vectors, Incheon National University, Incheon, Republic of Korea

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• Jin-Ho Song

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

  * E-mail: jinhos@cau.ac.kr (JHS)

  Affiliation Department of Pharmacology, Chung-Ang University College of Medicine, Seoul, Republic of Korea

  https://orcid.org/0000-0001-5331-7560

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