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Polycyclic Aromatic Compounds Volume 44, 2024 - Issue 1
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Research Articles

X-Ray Crystallography, Spectral Analysis, DFT Studies, and Molecular Docking of (C9H15N3)[CdCl4] Hybrid Material against Methicillin-Resistant Staphylococcus aureus (MRSA)

Afef Gannounia Faculté Des Sciences De Bizerte, Laboratoire de Chimie Des Matériaux, Zarzouna, Tunisie
,
Hitler Louisb Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria;c Department of Pure and Applied Chemistry, Faculty of Physical Sciences, University of Calabar, Calabar, NigeriaCorrespondence[email protected]
,
Thierry Roisneld Centre de Diffractométrie X, UMR 6226 CNRS, Institut Sciences Chimiques De Rennes, Université De Rennes I, Rennes, France
,
Bartholomew B. Isangb Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria;e Department of Mathematics, Faculty of Physical Sciences, University of Calabar, Calabar, Nigeria
,
Innocent Benjaminb 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]
&
Riadh Kefia Faculté Des Sciences De Bizerte, Laboratoire de Chimie Des Matériaux, Zarzouna, Tunisie
Pages 178-200 | Received 14 Nov 2022, Accepted 12 Jan 2023, Published online: 10 Feb 2023

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Mashood A. F. Mohamed, Innocent Benjamin, Gideon A. Okon, Iqrar Ahmad, Syed A. P. M. Khan, Harun Patel, Ernest C. Agwamba & Hitler Louis. (2023) Insights into in-vitro studies and molecular modelling of the antimicrobial efficiency of 4-chlorobenzaldehyde and 4-methoxybenzaldehyde derivatives. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-23.
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Fredrick C. Asogwa, Ogechi C. Ekoh, David I. Ugwu, Ernest C. Agwamba, Hitler Louis, Florence U. Eze, Innocent Benjamin, Emmanuel U. Ejiofor, Gideon E. Matthias, James A. Ezugwu, Aniekan E. Owen & Uchechukwu C. Okoro. (2023) Investigation of the Anti-Plasmodial Properties of N-2-Oxo Pyrrolidine Pentanamide-Based Sulfonamides: Experimental and Theoretical Approach. Polycyclic Aromatic Compounds 0:0, pages 1-20.
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Aniekan E. Owen, Chioma M. Chima, Iqrar Ahmad, Wilfred Emori, Ernest C. Agwamba, Chun-Ru Cheng, Innocent Benjamin, Harun Patel, Eze F. Ahuekwe, Mmefone A. Ojong, Chioma B. Ubah, Amanda-Lee E. Manicum & Hitler Louis. (2023) Antibacterial Potential of Trihydroxycyclohexa-2,4-Diene-1-Carboxylic Acid: Insight from DFT, Molecular Docking, and Molecular Dynamic Simulation. Polycyclic Aromatic Compounds 0:0, pages 1-24.
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Articles from other publishers (5)

Chioma B. Ubah, N. Mujafarkani, Ambika Sundaravadivelu, Nellainayagam Narendran, Obinna C. Godfrey, Sopuruchukwu E. Ogbodo, Michael O. Odey, Innocent Benjamin, A. Jafar Ahamed, Aniekan E. Owen, Bassey E. Agbo & Hitler Louis. (2024) Derivative of aminoresin as potent anti-virulence agent: Synthesis, spectral (FT-IR, UV, NMR) analysis, molecular docking, effect of polar solvation dynamics, and quantum chemical investigation. Journal of Molecular Structure 1295, pages 136744.
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Obinna C. Godfrey, Imojara Anna, Suhailah W. Qader, Gopinath Sampathkumar, Theresa C. Nwoha, Musa Runde, Obianuju A. Nwokolo, Solomon O. Iyam, Godwin D. Edo, Innocent Benjamin & Hitler Louis. (2023) Impact of polar (DMSO, ethanol, water) solvation on geometry, spectroscopy (FT-IR, UV, NMR), quantum chemical parameters, and the antifungal activities of benzothiazole derivative by molecular docking approach. Chemical Physics Impact 7, pages 100349.
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Antai E. Eyo, Gulack A. Obadiah, Innocent Benjamin, Uwem O. Edet, Faith O. Akor, Elizabeth Mbim, Ani Nkang, Ibor Richard, Emmanuel Emmanuel, Oluwadamilola V. Ayoola, Godwin Joshua & Hitler Louis. (2023) Geometry optimization, impact of solvation on the spectral (FT-IR, UV, NMR) analysis, Quantum chemical parameters, and the bioactivity of feruloyltyramine as a potential anti-Lassa virus agent via molecular docking. Chemical Physics Impact 7, pages 100338.
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Eban L. Kechi, Bassey E. Inah, Henry O. Edet & Hitler Louis. (2023) Studies on thiophene-thiazole-carbohydrazides as methicillin-resistant staphylococcus aureus (MRSA) agents: Insight from DFT and Molecular docking simulation. Chemical Physics Impact 7, pages 100271.
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Aniekan E. Owen, Hitler Louis, Emmanuel U. Ejiofor, Wilfred Emori, Terkumbur E. Gber, Innocent Benjamin, Chun-Ru Cheng, Muyiwa M. Orosun, Liu Ling & Adedapo S. Adeyinka. (2023) Natural Andrographolide Isolated from Andrographis paniculata as Potent Epileptic Agent: Spectroscopy, Molecular Structure, and Molecular Docking Investigation. Chemistry Africa 6:5, pages 2445-2461.
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