Obinna C. Godfrey

发表

Spectroscopic characterization, polar solvation effects, DFT studies, and the antiviral inhibitory potency of a novel terpolymer based on p-Phenylenediamine – Guanidine – Formaldehyde (PGF) ligand

A. Owen, A. J. Ahamed, I. Benjamin, 2023, Journal of Molecular Structure.

Computational study of the interaction of metal ions (Na+, K+, Mg2+, Ca2+, and Al3+) with Quercetin and its antioxidant properties

E. A. Eno, M. Shagal, T. Gber, 2023, Journal of the Indian Chemical Society.

Doxorubicin hydrochloride liposome and albumin-bound paclitaxel in cancer: a nanotechnology perspective

M. T. Islam, Pracheta Janmeda, D. Jain, 2021, The Applied Biology & Chemistry Journal.

Metals (Ga, In) encapsulated aluminum nitride nanotubes (AlNNTs) as nonenzymatic sensors for biomarker volatiles of liver cirrhosis: A computational study

Yasar N. Kavil, Adedapo S. Adeyinka, T. Gber, 2023, Journal of Molecular Liquids.

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

S. W. Qader, I. Benjamin, H. Louis, 2023, Chemical Physics Impact.

Antilymphoma activities of benzo bisthiazole derivative by molecular docking, impact of solvation, quantum chemical study, and spectroscopic (FT-IR, UV, NMR) investigation

W. Emori, T. Gber, Uzitem J. Undiandeye, 2023, Chemical Physics Impact.

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

A. Owen, A. J. Ahamed, I. Benjamin, 2023, Journal of Molecular Structure.

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

Fredrick C. Asogwa, E. Mbim, T. Gber, 2024, Zeitschrift für Physikalische Chemie.

Polar solvation molecular dynamics, quantum reactivity (ELF, HOMO–LUMO, NBO) studies, spectroscopy (FT-IR, UV), and the antibiotic potential of carbazide derivative via in-silico molecular docking

A. Owen, T. Gber, I. Benjamin, 2024, Zeitschrift für Physikalische Chemie.

Unraveling the Impact of Polar Solvation on the Molecular geometry Spectroscopy (FT-IR, UV, NMR), Reactivity (ELF, NBO, HOMO-LUMO) and Antiviral Inhibitory Potential of Cissampeline by Molecular Docking approach.

E. Antai, T. Gber, H. Louis, 2023, Chemical Physics Impact.

Structural analysis, reactivity descriptors (HOMO-LUMO, ELF, NBO), effect of polar (DMSO, EtOH, H2O) solvation, and libido-enhancing potential of resveratrol by molecular docking

I. Benjamin, H. Louis, E. I. Agwupuye, 2023, Chemical Physics Impact.

Insight into the crystal structure analysis, vibrational studies, reactivities (MESP, HOMO-LUMO, NBO), and the anticancer activities of ruthenium diazide [Ru(POP)(PPh3)(N3)2] complex by molecular docking approach

O. E. Offiong, E. Agwamba, H. Louis, 2023, Inorganic Chemistry Communications.

X-ray crystallography, molecular structure investigation, quantum chemical studies, and molecular dynamic of rheosmin as inhibitors of hemorrhagic Lassa Virus

A. Owen, E. Antai, U. Edet, 2023, Journal of Molecular Structure.

Elucidating the structural basis for the enhanced antifungal activity of amide derivative against Candida albicans: a comprehensive computational investigation

A. Owen, I. Benjamin, M. Runde, 2024, In silico pharmacology.

Computational investigation of amide derivative as potential anti-carbapenem-resistant Pseudomonas aeruginosa

Obinna C. Godfrey, Sopuruchukwu E. Ogbodo, Alpha O. Gulack, 2024, Journal of the Indian Chemical Society.

Investigating the Impact of Solvation on p-Phenylenediamine – 2-Amino Pyrimidine – Formaldehyde Terpolymer (P2APF) Ligand's Reactivity and Drug Suitability for Malaria Treatment: Insights from Experimental and Quantum Calculations

K. Muzammil, F. Khazaal, I. Benjamin, 2024, Journal of Molecular Structure.

Impact of Polythiophene ((C4H4S)n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

Adedapo S. Adeyinka, I. Benjamin, H. Louis, 2023, ACS omega.