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Open Access
Peer-reviewed
Research Article
Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulations
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Narasimha M. Beeraka,
Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Resources, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing
Affiliations Cancer Center, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, China, Department of Pharmaceutical Chemistry, JSS College of Pharmacy, JSS Academy of Higher Education & Research (JSS AHER), Mysuru, Karnataka, India, Department of Human Anatomy, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow, Russian Federation, Raghavendra Institute of Pharmaceutical Education and Research (RIPER), Anantapuramu, Chiyyedu, Andhra Pradesh, India, Herman B. Wells Center for Pediatric Research, Department of Pediatrics, Indiana University School of Medicine, Indianapolis, IN, United States of America
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Jin Zhang,
Roles Data curation
Affiliation Department of Pharmacology and Toxicology, University of Mississippi Medical Center, Jackson, Mississippi, United States of America
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Subhankar Mandal,
Roles Data curation
Affiliation Department of Pharmaceutical Chemistry, JSS College of Pharmacy, JSS Academy of Higher Education & Research (JSS AHER), Mysuru, Karnataka, India
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Hemanth Vikram P. R.,
Roles Data curation
Affiliation Department of Pharmaceutical Chemistry, JSS College of Pharmacy, JSS Academy of Higher Education & Research (JSS AHER), Mysuru, Karnataka, India
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Junqi Liu,
Roles Data curation, Formal analysis
Affiliations Cancer Center, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, China, Department of Radiation Oncology, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, China
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Namitha B. M.,
Roles Data curation
Affiliation Department of Pharmacology, JSS College of Pharmacy, JSS Academy of Higher Education & Research (JSS AHER), Mysuru, Karnataka, India
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Di Zhao,
Roles Data curation
Affiliation Department of Endocrinology, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, China
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Prashanth Vishwanath,
Roles Funding acquisition, Supervision
Affiliation Department of Biochemistry, Center of Excellence in Molecular Biology and Regenerative Medicine, JSS Medical College, JSS Academy of Higher Education and Research, Mysore, India
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Gurupadayya B. M. ,
Roles Investigation, Supervision, Writing – original draft
* E-mail: fccfanrt@zzu.edu.cn (RF); bmgurupadayya@jssuni.edu.in (GBM)
Affiliation Department of Pharmaceutical Chemistry, JSS College of Pharmacy, JSS Academy of Higher Education & Research (JSS AHER), Mysuru, Karnataka, India
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Ruitai Fan
Roles Conceptualization, Funding acquisition, Investigation, Supervision, Validation, Writing – original draft, Writing – review & editing
* E-mail: fccfanrt@zzu.edu.cn (RF); bmgurupadayya@jssuni.edu.in (GBM)
Affiliations Cancer Center, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, China, Department of Radiation Oncology, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, China
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Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulations
- Narasimha M. Beeraka,
- Jin Zhang,
- Subhankar Mandal,
- Hemanth Vikram P. R.,
- Junqi Liu,
- Namitha B. M.,
- Di Zhao,
- Prashanth Vishwanath,
- Gurupadayya B. M.,
- Ruitai Fan
![PLOS](/resource/img/logo-plos.png)
- Published: November 1, 2023
- https://doi.org/10.1371/journal.pone.0283705