Antibacterial Potential of Trihydroxycyclohexa-2,4-Diene-1-Carboxylic Acid: Insight from DFT, Molecular Docking, and Molecular Dynamic Simulation

Aniekan E. Owena Computational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaView further author information

Chioma M. Chimaa Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria;b Department of Pure and Applied Chemistry, Faculty of Physical Sciences, University of Calabar, Calabar, NigeriaView further author information

Iqrar Ahmadc Department of Pharmaceutical Chemistry, Division of Computer-Aided Drug Design, R. C. Patel Institute of Pharmaceutical Education and Research, Maharashtra, IndiaView further author information

Wilfred Emorid Department of Chemistry, Sichuan University of Science & Engineering, Zigong, Sichuan, P. R. ChinaCorrespondence[email protected]
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Ernest C. Agwambaa Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria;e Department of Microbiology, Covenant University, Otta, NigeriaView further author information

Chun-Ru Chengd Department of Chemistry, Sichuan University of Science & Engineering, Zigong, Sichuan, P. R. ChinaView further author information

Innocent Benjamina Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria;f Department of Microbiology, Faculty of Biological Sciences, University of Calabar, Calabar, NigeriaCorrespondence[email protected]
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Harun Patelc Department of Pharmaceutical Chemistry, Division of Computer-Aided Drug Design, R. C. Patel Institute of Pharmaceutical Education and Research, Maharashtra, IndiaView further author information

Eze F. Ahuekwee Department of Microbiology, Covenant University, Otta, NigeriaView further author information

Mmefone A. Ojonga Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria;f Department of Microbiology, Faculty of Biological Sciences, University of Calabar, Calabar, NigeriaView further author information

Chioma B. Ubaha Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria;f Department of Microbiology, Faculty of Biological Sciences, University of Calabar, Calabar, NigeriaView further author information

Amanda-Lee E. Manicumg Department of Chemistry, Tshwane University of Technology, Pretoria, South AfricaView further author information

Hitler Louisa Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria;b Department of Pure and Applied Chemistry, Faculty of Physical Sciences, University of Calabar, Calabar, NigeriaCorrespondence[email protected]
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Antibacterial Potential of Trihydroxycyclohexa-2,4-Diene-1-Carboxylic Acid: Insight from DFT, Molecular Docking, and Molecular Dynamic Simulation

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Antibacterial Potential of Trihydroxycyclohexa-2,4-Diene-1-Carboxylic Acid: Insight from DFT, Molecular Docking, and Molecular Dynamic Simulation

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