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Open Access
Peer-reviewed
Research Article
Computational design and cheminformatics profiling of omeprazole derivatives for enhanced proton pump inhibition of potassium-transporting ATPase alpha chain 1
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Mahmudul Hasan,
Roles Data curation, Formal analysis, Methodology, Resources, Software, Validation, Visualization, Writing – original draft, Writing – review & editing
Affiliations Faculty of Science, Department of Microbiology, Noakhali Science and Technology University, Noakhali, Bangladesh, Drug Design Division, Computer in Chemistry and Medicine Laboratory, Dhaka, Bangladesh
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Md. Ifteker Hossain,
Roles Data curation, Formal analysis, Methodology, Resources, Software, Validation, Visualization, Writing – original draft, Writing – review & editing
Affiliations Faculty of Science, Department of Microbiology, Noakhali Science and Technology University, Noakhali, Bangladesh, Drug Design Division, Computer in Chemistry and Medicine Laboratory, Dhaka, Bangladesh
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Noimul Hasan Siddiquee,
Roles Data curation, Formal analysis, Methodology, Resources, Software, Validation, Visualization, Writing – original draft, Writing – review & editing
Affiliation Faculty of Science, Department of Microbiology, Noakhali Science and Technology University, Noakhali, Bangladesh
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Ezaz Ahmed,
Roles Data curation, Formal analysis, Methodology, Validation, Visualization, Writing – original draft, Writing – review & editing
Affiliations Faculty of Science, Department of Microbiology, Noakhali Science and Technology University, Noakhali, Bangladesh, Drug Design Division, Computer in Chemistry and Medicine Laboratory, Dhaka, Bangladesh
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Md Walid Hossain Talukder,
Roles Formal analysis, Methodology, Visualization
Affiliations Drug Design Division, Computer in Chemistry and Medicine Laboratory, Dhaka, Bangladesh, Faculty of Science, Department of Applied Chemistry and Chemical Engineering, University of Chittagong, Chittagong, Bangladesh
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Md Rahamatolla,
Roles Data curation, Methodology, Writing – review & editing
Affiliations Drug Design Division, Computer in Chemistry and Medicine Laboratory, Dhaka, Bangladesh, Faculty of Science, Department of Chemistry, University of Rajshahi, Rajshahi, Bangladesh
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Tasrin Nahar,
Roles Data curation, Methodology, Writing – review & editing
Affiliations Drug Design Division, Computer in Chemistry and Medicine Laboratory, Dhaka, Bangladesh, Department of Chemistry, School of Physical Science, Shahjalal University of Science and Technology, Sylhet, Bangladesh
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Popy Rani Paul,
Roles Data curation, Methodology, Writing – review & editing
Affiliations Drug Design Division, Computer in Chemistry and Medicine Laboratory, Dhaka, Bangladesh, Faculty of Science, Department of Chemistry, University of Chittagong, Chittagong, Bangladesh
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Mahmudul Hassan Suhag,
Roles Data curation, Investigation, Writing – original draft, Writing – review & editing
Affiliation Faculty of Science and Engineering, Department of Chemistry, University of Barishal, Barishal, Bangladesh
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Monir Uzzaman
Roles Conceptualization, Investigation, Methodology, Project administration, Supervision, Validation, Writing – review & editing
* E-mail: monircu92@gmail.com
Affiliations Drug Design Division, Computer in Chemistry and Medicine Laboratory, Dhaka, Bangladesh, Faculty of Science, Department of Chemistry, University of Chittagong, Chittagong, Bangladesh
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Computational design and cheminformatics profiling of omeprazole derivatives for enhanced proton pump inhibition of potassium-transporting ATPase alpha chain 1
- Mahmudul Hasan,
- Md. Ifteker Hossain,
- Noimul Hasan Siddiquee,
- Ezaz Ahmed,
- Md Walid Hossain Talukder,
- Md Rahamatolla,
- Tasrin Nahar,
- Popy Rani Paul,
- Mahmudul Hassan Suhag,
- Monir Uzzaman
- Published: June 24, 2025
- https://doi.org/10.1371/journal.pone.0326655