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Journal of Biomolecular Structure and Dynamics Volume 42, 2024 - Issue 12
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Research Articles

Insights into in-vitro studies and molecular modelling of the antimicrobial efficiency of 4-chlorobenzaldehyde and 4-methoxybenzaldehyde derivatives

Mashood A. F. Mohameda PG and Research Department of Chemistry, Jamal Mohamed College (Autonomous), Affiliated to Bharathidasan University, Tiruchirappalli, Tamilnadu, IndiaCorrespondence[email protected]
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Innocent Benjaminb Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria;c Department of Microbiology, Faculty of Biological Sciences, University of Calabar, Calabar, NigeriaCorrespondence[email protected]
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Gideon A. Okonb Computational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaView further author information
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Iqrar Ahmadd Department of Pharmaceutical Chemistry, Prof. Ravindra Nikam College of Pharmacy, Dhule, Maharashtra, IndiaORCID Iconhttps://orcid.org/0000-0002-7697-9572View further author information
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Syed A. P. M. Khana PG and Research Department of Chemistry, Jamal Mohamed College (Autonomous), Affiliated to Bharathidasan University, Tiruchirappalli, Tamilnadu, India;b Computational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaView further author information
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Harun Patele Division of Computer Aided Drug Design, Department of Pharmaceutical Chemistry, R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur, Maharashtra, IndiaView further author information
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Ernest C. Agwambab Computational and Bio-Simulation Research Group, University of Calabar, Calabar, NigeriaView further author information
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Hitler Louisb Computational and Bio-Simulation Research Group, University of Calabar, Calabar, Nigeria;f Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria;g Faculty of Allied Health Sciences, Chettinad Hospital and Research Institute, Chettinad Academy of Research and Education, Kelambakkam, Tamil Nadu, IndiaCorrespondence[email protected]
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Pages 6042-6064 | Received 21 Feb 2023, Accepted 21 Jun 2023, Published online: 28 Jul 2023

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Kumari Swati, Sudhir Rama Varma, R. P. Parameswari, Siva Prasad Panda, Mohit Agrawal, Anand Prakash, Dhruv Kumar & Prasoon Agarwal. Computational exploration of FOXM1 inhibitors for glioblastoma: an integrated virtual screening and molecular dynamics simulation study. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
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Obinna C. Godfrey, Eze A. Adindu, Uwem O. Edet, Elizabeth N. Mbim, Gabriel C. Eze, Fredrick C. Asogwa, Innocent Benjamin, Terkumbur E. Gber, Rawlings A. Timothy & Hitler Louis. (2024) Unraveling the inhibitory potential of fatty acids from Cola lepidota seed against monoclonal antibody Fab fragment (9F8) (3VG0) leptin antagonism and restoration of ‘satiety’ in obesity condition: insight from quantum chemical analysis, pharmacokinetics, and molecular docking . Zeitschrift für Physikalische Chemie 238:4, pages 763-796.
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Aniekan E. Owen, Ernest C. Agwamba, Mathias E. Gideon, Kelechi Chukwuemeka, Emmanuel U. Ejiofor, Innocent Benjamin, Eze F. Ahukwe, Festus O. Ogungbemiro, Kube T. Maxwell, Amanda-Lee E. Manicum & Hitler Louis. (2024) Molecular structure, spectroscopy, molecular docking, and molecular dynamic studies of tetrahydroneoprzewaquinone as potent cervical cancer agent. Zeitschrift für Physikalische Chemie 238:2, pages 363-400.
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Abdullahi O. Rajee, Joshua A. Obaleye, Hitler Louis, Abdulbasit A. Aliyu, Amudat Lawal, Ismail O. Amodu, Rawlings A. Timothy, Sheriff O. Ayinla, Kareemat T. Adesope & Amanda-Lee E. Manicum. (2023) Single-crystal X-ray, spectroscopy, quantum chemical calculations, and molecular docking investigation of ruthenium (II) polypyridyl complexes of curcumin as a potential chemotherapy drug in the treatment of malignant glioblastoma (GBM). Chemical Papers 78:3, pages 1567-1583.
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Hetal I. Soni, Navin B. Patel, Iqrar Ahmad, Harun Patel & Gildardo Rivera. (2024) Synthesis, biological evaluation, and In silico molecular docking of N‐(4‐(4‐substitutedphenyl)‐6‐(substituted aryl) pyrimidin‐2‐yl)‐2‐(2‐isonicotinoyl hydrazinyl) acetamide . Journal of Biochemical and Molecular Toxicology 38:1.
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Victoria M. Bassey, Obinna C. Godfrey, Innocent Benjamin, Chinyere U. Okoro, Mohammed H. Shagal, Wilfred Emori, Joshua T. Jumbo, Uwamere O. Edeghor, Musa Runde, Joshua Godwin, Mary A. Mbahi & Hitler Louis. (2023) Elucidating the efficacy of plant-derived triterpenoids for treating urinary tract infections: insights from experimental investigation, quantum chemical analysis, and molecular docking. Zeitschrift für Physikalische Chemie 237:10, pages 1617-1641.
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