C. Ibeji

发表

The catalytic role of water in the binding site of l,d-transpeptidase 2 within acylation mechanism: A QM/MM (ONIOM) modelling.

G. Lamichhane, B. Honarparvar, T. Govender, 2018, Tuberculosis.

Singlet-triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin-flip methods.

Debashree Ghosh, C. Ibeji, 2015, Physical chemistry chemical physics : PCCP.

Quantum Descriptors and Corrosion Inhibition Potentials of Amodaquineand Nivaquine

C. Ibeji, I. Adejoro, Akintayo Dc, 2017 .

Crystal, spectroscopic and quantum mechanics studies of Schiff bases derived from 4-nitrocinnamaldehyde

G. E. Maguire, H. G. Kruger, C. Ibeji, 2021, Scientific Reports.

Natural phyto, compounds as possible noncovalent inhibitors against SARS-CoV2 protease: computational approach

Emmanuel A. Iwuchukwu, M. Soliman, C. Ibeji, 2020, Journal of biomolecular structure & dynamics.

Synthesis, characterization, in-vitro antimicrobial properties, molecular docking and DFT studies of 3-{(E)-[(4,6-dimethylpyrimidin-2-yl)imino]methyl} naphthalen-2-ol and Heteroleptic Mn(II), Co(II), Ni(II) and Zn(II) complexes

C. Ibeji, S. Okafor, D. Onwudiwe, 2018 .

Targeting the initiation and termination codons of SARS-CoV-2 spike protein as possible therapy against COVID-19: the role of novel harpagide 5-O-β-D-glucopyranoside from Clerodendrum volubile P Beauv. (Labiatae)

A. Muhammad, C. Ibeji, O. Erukainure, 2020, Journal of biomolecular structure & dynamics.

Dehydroacetic acid-phenylhydrazone as a Potential Inhibitor for Wild-type HIV-1 Protease: Structural, DFT, Molecular Dynamics, 3D QSAR and ADMET Characteristics

C. Ibeji, M. Grishina, C. Chime, 2019 .

Pro-Gly Based Dipeptide Containing Sulphonamide Functionality, their Antidiabetic, Antioxidant, and Anti-inflammatory Activities. Synthesis, Characterization and Computational studies

C. Ibeji, S. P. Singh, D. I. Ugwu, 2022, Journal of Molecular Structure.

Ferric-Induced Pancreatic Injury Involves Exacerbation of Cholinergic and Proteolytic Activities, and Dysregulation of Metabolic Pathways: Protective Effect of Caffeic Acid

M. Islam, C. Ibeji, N. Koorbanally, 2019, Biological Trace Element Research.

Stem bark exudate (resin) of Araucaria cunninghamii Aiton ex D. Don (hoop pine) abates glycation, α-glucosidase and DPP-IV activity and modulates glucose utilization in Chang liver cells and 3T3-L1 adipocytes

C. Ibeji, C. I. Chukwuma, M. Matsabisa, 2019, South African Journal of Botany.

Cannabis sativa L. (var. indica) Exhibits Hepatoprotective Effects by Modulating Hepatic Lipid Profile and Mitigating Gluconeogenesis and Cholinergic Dysfunction in Oxidative Hepatic Injury

S. Oyedemi, M. Islam, C. Ibeji, 2021, Frontiers in Pharmacology.

The antidiabetic properties of the hot water extract of kola nut (Cola nitida (Vent.) Schott & Endl.) in type 2 diabetic rats.

O. Sanni, M. Islam, C. Ibeji, 2019, Journal of ethnopharmacology.

Mechanistic insight on the inhibition of D, D-carboxypeptidase from Mycobacterium tuberculosis by β-lactam antibiotics: an ONIOM acylation study

Sibusiso B. Maseko, G. Lamichhane, B. Honarparvar, 2021, Journal of biomolecular structure & dynamics.

In vitro study on efficacy of PHELA, an African traditional drug against SARS-CoV-2

C. Ibeji, O. Erukainure, M. Matsabisa, 2022, Scientific Reports.

Novel 3‐Hydroxy‐2‐naphthoic hydrazone and Ni(II), Co(II) and Cu(II) Complexes: Synthesis, Spectroscopic Characterization, Antimicrobial, DNA Cleavage and Computational Studies

C. Ibeji, B. Coban, A. Ekennia, 2019, Applied Organometallic Chemistry.

Synthesis and characterization of Cu(II), Co(II) and Ni(II) complexes of a benzohydrazone derivative: Spectroscopic, DFT, antipathogenic and DNA binding studies

C. Ibeji, O. Okagu, U. Yıldız, 2019, Journal of Molecular Structure.

Umbelliferone stimulates glucose uptake; modulates gluconeogenic and nucleotide-hydrolyzing enzymes activities, and dysregulated lipid metabolic pathways in isolated psoas muscle

M. Islam, C. Ibeji, N. Koorbanally, 2020 .

Azadirachta indica inhibits key enzyme linked to type 2 diabetes in vitro, abates oxidative hepatic injury and enhances muscle glucose uptake ex vivo.

O. Sanni, M. Islam, C. Ibeji, 2019, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

Isolation, characterization, and hepatoprotective properties of betulinic acid and ricinine from Tetracarpidium conophorum seeds (Euphorbiaceae).

P. Uadia, C. Ibeji, K. Oriakhi, 2020, Journal of food biochemistry.

Ferulic Acid Modulates Dysfunctional Metabolic Pathways and Purinergic Activities, While Stalling Redox Imbalance and Cholinergic Activities in Oxidative Brain Injury

M. Islam, C. Ibeji, N. Koorbanally, 2019, Neurotoxicity Research.

Corrosion performance of Schiff base derived from 2, 5-dimethoxybenzyaldehyde: X-ray structure, experimental and DFT studies

C. Ibeji, E. D. Akpan, O. Okpareke, 2022, Chemical Papers.

Vanillin and vanillic acid modulate antioxidant defense system via amelioration of metabolic complications linked to Fe2+-induced brain tissues damage

M. Islam, C. Ibeji, N. Koorbanally, 2020, Metabolic Brain Disease.

Vernonia Amygdalina Del. stimulated glucose uptake in brain tissues enhances antioxidative activities; and modulates functional chemistry and dysregulated metabolic pathways

M. Islam, C. Ibeji, N. Koorbanally, 2019, Metabolic Brain Disease.

Synthesis, Crystal structure, Photoluminescence Properties and Quantum mechanics Studies of Two Schiff Bases of 2-amino-p-cresol

G. E. Maguire, H. G. Kruger, C. Ibeji, 2022, Journal of Molecular Structure.

In vitro and computational studies on the antiglycation activity of compounds isolated from antidiabetic Tetracera alnifolia stem bark

P. Uadia, C. Ibeji, I. Choudhary, 2021, Journal of biomolecular structure & dynamics.

N-Phenyl substituent controlled diastereoselective synthesis of β-lactam-isatin conjugates

C. Ibeji, Paul Awolade, Nagaraju Kerru, 2020 .

Synthesis and anti-corrosive potential of Schiff bases derived 4-nitrocinnamaldehyde for mild steel in HCl medium: Experimental and DFT studies

C. Ibeji, K. Akpomie, O. Oyeneyin, 2021 .

Synthesis, spectral, structure and computational studies of novel transition Metal(II) complexes of (Z)-((dimethylcarbamothioyl)thio) ((1,1,1-trifluoro-4-(naphthalen-2-yl)-4-oxobut-2-en-2-yl)oxy)

C. Ibeji, R. Gupta, E. Kolawole, 2020 .

Synthesis, characterization, antimicrobial activity and DFT studies of 2-(pyrimidin-2-ylamino)naphthalene-1,4-dione and its Mn(II), Co(II), Ni(II) and Zn(II) complexes

C. Ibeji, S. Okafor, D. Onwudiwe, 2018, Journal of Molecular Structure.

Synthesis, characterization, molecular docking, biological activity and density functional theory studies of novel 1,4‐naphthoquinone derivatives and Pd(II), Ni(II) and Co(II) complexes

C. Ibeji, S. Okafor, D. Onwudiwe, 2018 .

Structural, computational and antimicrobial studies of 2–[(E)–[2–(2,4,6-trimethylbenzenesulfonyl)-hydrazinylidene] methyl] benzoic acid and its Cu(II), Zn(II) and Co(II) complexes

C. Ibeji, Joseph R. Lane, D. Izuogu, 2021 .

Synthesis, molecular docking and antimalarial activity of phenylalanine-glycine dipeptide bearing sulphonamide moiety

C. Ibeji, Rafat Ali, D. I. Ugwu, 2021 .

Crystal structure and DFT studies of (E)-1-(4-fluorophenyl)-3-(1H-indol-1-yl)-4-styrylazetidin-2-one

C. Ibeji, Nagaraju Kerru, Lalitha Gummidi, 2019, Journal of Molecular Structure.

Biological evaluation and molecular docking of some newly synthesized 3d-series metal(II) mixed-ligand complexes of fluoro-naphthyl diketone and dithiocarbamate

C. Ibeji, A. A. Olanrewaju, O. Oyeneyin, 2020, SN Applied Sciences.

Nickel(II) complexes from phosphor-dichalcogenide (P/Se2 and P/S2) type ligands: Synthesis, structure and theoretical calculations

C. Ibeji, T. Yusuf, W. V. van Zyl, 2020 .

The Driving Force for the Acylation of β-Lactam Antibiotics by L,D-Transpeptidase 2: Quantum Mechanics/Molecular Mechanics (QM/MM) Study.

G. Lamichhane, B. Honarparvar, T. Govender, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Copper(II)-N-hydroxy-N,N'-diarylformamidine complexes: Synthesis, crystal structures, antibacterial and molecular docking studies.

C. Ibeji, Bernard Omondi, C. Mocktar, 2021, Journal of inorganic biochemistry.

Novel 3d divalent metallic complexes of 3-[(2-hydroxy-5-methyl-phenylimino)-methyl]-napthalen-2-ol: Synthesis, spectral characterization, antimicrobial and computational studies

C. Ibeji, O. Okpareke, Festus Chioma, 2020 .

Synthesis, Spectroscopic, Antimicrobial Activity and Computational Studies of Some Homoleptic and Heteroleptic Metal(II) Complexes of 2‐Furoic Acid Hydrazone

C. Ibeji, O. Okagu, B. Coban, 2019, ChemistrySelect.

COMPUTATIONAL STUDY ON POLYMERS OF UNSUBSTITUTED AND SOME SUBSTITUTED PYRROLES

C. Ibeji, 2015 .

In vitro and computational studies of the antioxidant and anti-diabetic properties of Bridelia ferruginea

M. Islam, C. Ibeji, N. Koorbanally, 2020, Journal of biomolecular structure & dynamics.

D-mannitol modulates glucose uptake ex vivo; suppresses intestinal glucose absorption in normal and type 2 diabetic rats

M. Islam, C. Ibeji, O. Erukainure, 2019, Food Bioscience.

UPLC-PDA-ESI-QTOF-MS/MS fingerprint of purified flavonoid enriched fraction of Bryophyllum pinnatum; antioxidant properties, anticholinesterase activity and in silico studies

C. Ibeji, P. Joshua, B. C. Nwanguma, 2021, Pharmaceutical biology.

The Efficiency of Chloroquine as Corrosion Inhibitor for Aluminium in 1M HCl Solution : Experimental and DFT Study

C. Ibeji, I. Adejoro, D. C. Akintayo, 2016 .

Boerhaavia diffusa inhibits key enzymes linked to type 2 diabetes in vitro and in silico; and modulates abdominal glucose absorption and muscle glucose uptake ex vivo.

C. Ibeji, N. Koorbanally, O. Erukainure, 2018, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

Beetroot supplemented diet exhibit anti-amnesic effect via modulation of cholinesterases, purinergic enzymes, monoamine oxidase and attenuation of redox imbalance in the brain of scopolamine treated male rats

C. Ibeji, G. Oboh, S. Oyeleye, 2020, Nutritional neuroscience.

Vernonia Amygdalina Del. stimulated glucose uptake in brain tissues enhances antioxidative activities; and modulates functional chemistry and dysregulated metabolic pathways

M. Islam, C. Ibeji, N. Koorbanally, 2019, Metabolic Brain Disease.

Betulinic Acid Modulates Redox Imbalance and Dysregulated Metabolisms, While Ameliorating Purinergic and Cholinergic Activities in Iron-Induced Neurotoxicity

M. Islam, C. Ibeji, N. Koorbanally, 2023, Revista Brasileira de Farmacognosia.

Kolaviron stimulates glucose uptake with concomitant modulation of metabolic activities implicated in neurodegeneration in isolated rat brain, without perturbation of tissue ultrastructural morphology

M. Islam, C. Ibeji, O. Erukainure, 2020, Neuroscience Research.

Crassocephalum rubens, a leafy vegetable, suppresses oxidative pancreatic and hepatic injury and inhibits key enzymes linked to type 2 diabetes: An ex vivo and in silico study.

M. Islam, C. Ibeji, N. Koorbanally, 2019, Journal of food biochemistry.

Neuroprotective effect of Bryophyllum pinnatum flavonoids against aluminum chloride-induced neurotoxicity in rats

C. Ibeji, P. Joshua, B. C. Nwanguma, 2021, Toxicology mechanisms and methods.

A Benchmark Study on the Properties of Unsubstituted and Some Substituted Polypyrroles

C. Ibeji, I. Adejoro, B. B. Adeleke, 2015 .

Energy Landscape View of the Amyloid Aggregator in Protein Folding Problem

Samson O. Aisida, Collins U Ibeji, Chibuike D Umeh, 2018 .

Inhibition mechanism of L,D-transpeptidase 5 in presence of the β-lactams using ONIOM method.

Thavendran Govender, Hendrik G. Kruger, Bahareh Honarparvar, 2019, Journal of molecular graphics & modelling.

Functionalized MWCNTs-quartzite nanocomposite coated with Dacryodes edulis stem bark extract for the attenuation of hexavalent chromium

J. Conradie, C. Ibeji, K. Akpomie, 2021, Scientific Reports.

Sequestration of Pb(II) onto Phosphate Modified Fibrous Prunus Dulcis Seed Shell: Kinetic, Thermodynamic, Isotherm, Desorption and Reusability

C. Ibeji, J. Amaku, S. Ogundare, 2020, Journal of Natural Fibers.

Inhibition of Mycobacterium tuberculosis L,D-Transpeptidase 5 by Carbapenems: MD and QM/MM Mechanistic Studies

G. Lamichhane, B. Honarparvar, T. Govender, 2018, ChemistrySelect.

Synthesis, in Silico Studies and Investigations on Antimicrobial, Antimalarial Activities of P-Toluenesulphonmaoyl ‘Leu-Gly’ Dipeptide Carboxamide Derivatives

C. Ibeji, E. L. Ayuk, U. Okoro, 2023, SSRN Electronic Journal.

Identification of potent L,D-transpeptidase 5 inhibitors for Mycobacterium tuberculosis as potential anti-TB leads: virtual screening and molecular dynamics simulations

Sibusiso B. Maseko, G. Lamichhane, B. Honarparvar, 2019, Journal of Molecular Modeling.

Molecular insight on the non-covalent interactions between carbapenems and l,d-transpeptidase 2 from Mycobacterium tuberculosis: ONIOM study

Glenn E. M. Maguire, Thavendran Govender, Hendrik G. Kruger, 2018, Journal of Computer-Aided Molecular Design.

Phytochemical constituents, antioxidant and antidiabetic activities of different extracts of the leaves, stem and root barks of Alstonia boonei: an in vitro and in silico study

M. Islam, C. Ibeji, N. Koorbanally, 2019, Botany Letters.

A Sensitization-Free Dimethyl Fumarate Prodrug, Isosorbide Di-(Methyl Fumarate), Provides a Topical Treatment Candidate for Psoriasis

C. Ibeji, W. Swindell, K. Bojanowski, 2021, JID innovations.

Demystifying the catalytic pathway of Mycobacterium tuberculosis isocitrate lyase

Y. Choong, T. S. Lim, C. Ibeji, 2020, Scientific Reports.

Molecular dynamics and DFT study on the structure and dynamics of N-terminal domain HIV-1 capsid inhibitors

C. Ibeji, 2020, Molecular Simulation.

Synthesis, experimental and computational studies on the anti-corrosion performance of substituted Schiff bases of 2-methoxybenzaldehyde for mild steel in HCl medium

C. Ibeji, D. C. Akintayo, E. Akintemi, 2023, Scientific Reports.

Corrosion performance of Schiff base derived from 2, 5-dimethoxybenzyaldehyde: X-ray structure, experimental and DFT studies

C. Ibeji, E. D. Akpan, O. Okpareke, 2022, Chemické zvesti.

Ferulic Acid Modulates Dysfunctional Metabolic Pathways and Purinergic Activities, While Stalling Redox Imbalance and Cholinergic Activities in Oxidative Brain Injury

M. Islam, C. Ibeji, N. Koorbanally, 2019, Neurotoxicity Research.

Quantum Mechanical Studies of the Structure-activity Relationship and Electronic Vibration of Some Dietary Flavonoids

C. Ibeji, I. Adejoro, E. Akintemi, 2014 .

Cadmium and Lead Adsorption Capacities of Nigerian Ultisol Soil of Tropics

C. Ibeji, J. Asegbeloyin, E. E. Oyeka, 2019, Oriental Journal of Chemistry.

Modulatory effect of ursolic acid on neurodegenerative activities in oxidative brain injury: An ex vivo study.

M. Islam, C. Ibeji, O. Erukainure, 2020, Journal of food biochemistry.

Molecular insight on the non-covalent interactions between carbapenems and l,d-transpeptidase 2 from Mycobacterium tuberculosis: ONIOM study

G. Lamichhane, B. Honarparvar, T. Govender, 2018, Journal of Computer-Aided Molecular Design.