Oluwatoba Emmanuel Oyeneyin

Adekunle Ajasin University — Nigeria

Chemistry · Physical Sciences

18h-index973citations82works1.52yr avg
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Research Topics

Synthesis and biological activity(21), Computational Drug Discovery Methods(17), Nonlinear Optical Materials Research(12), Corrosion Behavior and Inhibition(9), Inorganic and Organometallic Chemistry(9)

Publications82 total

Frequency-dependent optical response and selective adsorptive properties of MOF-199: insight from the DFT, Monte Carlo and molecular dynamics simulations
Chemical Papers·2026
8-Quinoline-oxadiazole ethanone and acetamide hybrids as potential dual HIV-1 entry and mycobacterium tuberculosis inhibitors
Scientific African·2025Open Access
Deep learning and molecular dynamics reveal promising EZH2 inhibitors for epigenetic cancer targeting
Computational Biology and Chemistry·2025
New 3-[(tetrazol-5-yl)methine-N-benzylamine)]-1H-indole derivatives: Synthesis, anti-HIV activity and molecular docking studies
European Journal of Medicinal Chemistry·2025· 1 citedOpen Access
<i>In Silico</i> evaluation of the potential of phytochemicals from <i>Cissus populnea</i> against <i>Mycobacterium</i> tuberculosis
SRA - Physical Sciences·2025Open Access
Arylpyrrole derivatives as anti-malarial agents- in vivo and in silico investigations
Discover Chemistry.·2025· 2 citedOpen Access
Synthesis, Characterisation, Biological Evaluation and In Silico Studies of Quinoline–1,2,3-Triazole–Anilines as Potential Antitubercular and Anti-HIV Agents
Molecules·2025· 7 citedOpen Access
Facile synthesis, characterization, molecular and dynamic optical properties of metronidazole and sulfamethoxazole adducts of tricarbonyl(1-5-η-2-methoxycyclohexadienylium)iron
Discover Chemistry.·2025· 2 citedOpen Access
Synthesis, Characterisation, Biological Evaluation and In Silico Studies of Quinoline-1,2, 3-Triazole-Anilines as Potential Antitubercular and Anti-HIV Agents
Preprints.org·2025Open Access
In vitro larvicidal activity of selected azabenzimidazole and diarylquinoline derivatives against Anopheles gambiae and in silico mechanistic analysis
Molecular Diversity·2025· 1 cited
Synthesis, Electronic, Dynamic Optical and Adsorption (Monte Carlo and Molecular Dynamics) Properties of Cadmium Picolinate Coordination Polymer-2 (Cp-2)
Journal of Computational Biophysics and Chemistry·2025· 2 cited
Insights into the optoelectronic, quantum chemical, NBO and dynamic nonlinear optical properties of meso-BODIPY dyes
Scientific African·2025· 3 citedOpen Access
Thermally Induced Solvent-Based Synthesis of Copper and Barium Metal–Organic Frameworks of Isonicotinic Acid: Characterization and Quantum Chemical Analysis of Electronic, Static, and Dynamic Optical Properties
Chemistry Africa·2025· 3 cited
New 3-[(tetrazol-5-yl)methine-N-benzylamine)]-1H-indole derivatives: Synthesis, anti-HIV activity and molecular docking studies
SSRN Electronic Journal·2025Open Access
Corrigendum to “In vitro antiplasmodium and antitrypanosomal activities, β-haematin formation inhibition, molecular docking and DFT computational studies of quinoline-urea-benzothiazole hybrids” [Heliyon Volume 10, Issue 19, October 2024, Article e38434]
Heliyon·2024Open Access
In vitro antiplasmodium and antitrypanosomal activities, β-haematin formation inhibition, molecular docking and DFT computational studies of quinoline-urea-benzothiazole hybrids
Heliyon·2024· 3 citedOpen Access
In Silico Evaluation of Bioactive Compounds of Citrullus lanatus as Potential Noncovalent KRAS Inhibitors in the Treatment of Human Cancer
Chemistry Africa·2024· 3 cited
<i>In Vitro</i> Antiplasmodium and Antitrypanosomal Activities, Β-Haematin Formation Inhibition, Molecular Docking and DFT Computational Studies of Quinoline-Urea-Benzothiazole Hybrids
SSRN Electronic Journal·2024Open Access
Parasitic Protozoans: Exploring the Potential of N,N’-Bis[2-(5-bromo-7-azabenzimidazol-1-yl)-2-oxoethyl]ethylene-1,3-Diamine and Its Cyclohexyl-1,2-diamine Analogue as TryR and Pf-DHODH Inhibitors
Acta Parasitologica·2023· 5 cited
Insight into the corrosion inhibiting potential and anticancer activity of 1-(4-methoxyphenyl)-5-methyl-N’-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide via computational approaches
Journal of Biomolecular Structure and Dynamics·2023· 20 citedOpen Access
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Frequent Co-authors

Nureni Ipinloju(13), Nathanael Damilare Ojo(10), Isaiah A. Adejoro(8), Taoreed O. Owolabi(6), Eric Bamidele Agbaffa(5), Damilola A. Omoboyowa(5), Adesoji Alani Olanrewaju(4), Olawale F. Akinyele(4), Eric O. Akintemi(4), Abdulwasiu Ibrahim(4), Damilohun Samuel Metibemu(4), Collins U. Ibeji(3), Abiodun V. Emmanuel(3), Daniel Dada Akerele(3), Dare S. Olayanju(3), Babatunde Temitope Ogunyemi(3), Suleiman Alhaji Muhammad(3), Justinah Solayide Amoko(3), Arulraj Ramalingam(2), Sivakumar Sambandam(2)