Obinna C. Godfrey

ORCID, self-asserted

ORCID 0000-0002-3868-4028

Publications

Citations

313

h-index

Computed over the works the graph holds, so it is a floor rather than a career figure.

i10-index

Publications

24 works in the graph, newest first.

Elucidating the Biological Potential of 4′-Bromo-5-(furan-2-yl)-1, 6-dihydro-[1,1′-biphenyl]-3(2H)-one: Intermolecular Interactions and Insights into Its Anti-Ebola Activity
2025Journal of Computational Biophysics and ChemistryJournal10 citations10.1142/s2737416525500577
Computational exploration of the chemical impact of cobalt group transition metals (TM: Co, Rh, Ir) on surface-tailored silicon carbide nanotubes (TM@SiCNTs) for trichloromethane gas adsorption
2025Journal of Nanoparticle ResearchJournalFirst authorCorresponding5 citations10.1007/s11051-025-06213-5
Impact of solvation on plant-derived cyclic octapeptide alkaloid reactivity and drug suitability against target proteins implicated in leukemia: DFT, pharmacokinetics and molecular docking studies
2025Journal of Molecular StructureJournalFirst authorCorresponding0 citations10.1016/j.molstruc.2025.142504
Computational investigation of amide derivative as potential anti-carbapenem-resistant Pseudomonas aeruginosa
2024Journal of the Indian Chemical SocietyJournalOpen access7 citations10.1016/j.jics.2024.101184
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
2024Zeitschrift für Physikalische ChemieJournal3 citations10.1515/zpch-2023-0386
Investigating the antibacterial potency of Schiff base derivatives as potential agents for urinary tract infection: DFT, solvation, molecular docking and pharmacokinetic studies
2024Zeitschrift für Physikalische ChemieJournalFirst author3 citations10.1515/zpch-2024-0910
Understanding the impact of methoxy groups of undescribed atropisomer biflavonoids of methanol leaf extract of Ochna rhizomatosa against chloroquine-resistant Plasmodium falciparum strain NF54: Insight from experimental, DFT and molecular docking studies
2024Journal of Molecular StructureJournalCorresponding0 citations10.1016/j.molstruc.2024.141201
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
2024Journal of Molecular StructureJournal3 citations10.1016/j.molstruc.2024.138113
Elucidating the structural basis for the enhanced antifungal activity of amide derivative against Candida albicans: a comprehensive computational investigation
2024In Silico PharmacologyJournalOpen access3 citations10.1007/s40203-024-00222-3
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
2024Zeitschrift für Physikalische ChemieJournalFirst authorCorresponding1 citations10.1515/zpch-2023-0357
RETRACTED: Structural analysis, reactivity descriptors (HOMO-LUMO, ELF, NBO), effect of polar (DMSO, EtOH, H2O) solvation, and libido-enhancing potential of resveratrol by molecular docking
2023Chemical Physics ImpactJournalOpen access75 citations10.1016/j.chphi.2023.100296
Hexachlorobenzene (HCB) adsorption onto the surfaces of C60, C59Si, and C59Ge: Insight from DFT, QTAIM, and NCI
2023Chemical Physics ImpactJournalOpen accessSenior author67 citations10.1016/j.chphi.2023.100234
Spectroscopic characterization, polar solvation effects, DFT studies, and the antiviral inhibitory potency of a novel terpolymer based on p-Phenylenediamine – Guanidine – Formaldehyde (PGF) ligand
2023Journal of Molecular StructureJournal18 citations10.1016/j.molstruc.2023.136049
RETRACTED: 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
2023Chemical Physics ImpactJournalOpen accessFirst author18 citations10.1016/j.chphi.2023.100349
Computational study of the interaction of metal ions (Na+, K+, Mg2+, Ca2+, and Al3+) with Quercetin and its antioxidant properties
2023Journal of the Indian Chemical SocietyJournalOpen access16 citations10.1016/j.jics.2023.101059
RETRACTED: 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
2023Chemical Physics ImpactJournalOpen access15 citations10.1016/j.chphi.2023.100346
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
2023Journal of Molecular StructureJournal10 citations10.1016/j.molstruc.2023.136744
Effect of solvation on the molecular structure, vibrational assignment, nature of bonding, and the antiviral drug-like potential of troxerutin against HBV proteins
2023Journal of the Indian Chemical SocietyJournal17 citations10.1016/j.jics.2023.100994
X-ray crystallography, molecular structure investigation, quantum chemical studies, and molecular dynamic of rheosmin as inhibitors of hemorrhagic Lassa Virus
2023Journal of Molecular StructureJournal14 citations10.1016/j.molstruc.2023.136048
Metals (Ga, In) encapsulated aluminum nitride nanotubes (AlNNTs) as nonenzymatic sensors for biomarker volatiles of liver cirrhosis: A computational study
2023Journal of Molecular LiquidsJournalFirst author6 citations10.1016/j.molliq.2023.123398
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
2023ACS OmegaJournalOpen access4 citations10.1021/acsomega.3c04625
Antilymphoma activities of benzo bisthiazole derivative by molecular docking, impact of solvation, quantum chemical study, and spectroscopic (FT-IR, UV, NMR) investigation
2023Chemical Physics ImpactJournalOpen access10 citations10.1016/j.chphi.2023.100290
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
2023Inorganic Chemistry CommunicationsJournal5 citations10.1016/j.inoche.2023.111714
Elucidating the efficacy of plant-derived triterpenoids for treating urinary tract infections: insights from experimental investigation, quantum chemical analysis, and molecular docking
2023Zeitschrift für Physikalische ChemieJournal3 citations10.1515/zpch-2023-0305