Bienfait Kabuyaya Isamura

In silico Drug Repurposing of Anticancer Drug 5-FU and Analogues Against SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics Simulation, Pharmacokinetics and Chemical Reactivity Studies

Aristote Matondo, Washington Dendera, Bienfait Kabuyaya Isamura et al. · Advances and Applications in Bioinformatics and Chemistry · 2022 · 22 citations · Full text

Exploring the antioxidant, antimicrobial, cytotoxic and biothermodynamic properties of novel morpholine derivative bioactive Mn(<scp>ii</scp>), Co(<scp>ii</scp>) and Ni(<scp>ii</scp>) complexes – combined experimental and theoretical measurements towards DNA/BSA/SARS-CoV-2 3CL^Pro

Karunganathan Sakthikumar, Bienfait Kabuyaya Isamura, Rui W. M. Krause · RSC Medicinal Chemistry · 2023 · 18 citations · Full text

SARS-CoV-2 Mpro binding profile and drug-likeness of two novel thiazole derivatives: structural elucidation, DFT studies, ADME-T and molecular docking simulations

T.N. Lohith, Krishna Ravi Singh, Bienfait Kabuyaya Isamura et al. · Journal of Biomolecular Structure and Dynamics · 2022 · 17 citations

Spectro-electrochemical, fluorometric and biothermodynamic evaluation of pharmacologically active morpholine scaffold single crystal ligand and its metal(II) complexes: A comparative study on in-vitro and in-silico screening towards DNA/BSA/SARS-CoV-19

Karunganathan Sakthikumar, Rui W. M. Krause, Bienfait Kabuyaya Isamura et al. · Journal of Inorganic Biochemistry · 2022 · 14 citations

Molecular Docking, Medicinal Chemistry, Biothermodynamic Evaluation +11

Metaheuristic optimisation of Gaussian process regression model hyperparameters: Insights from FEREBUS

Bienfait Kabuyaya Isamura, Paul L. A. Popelier · Artificial Intelligence Chemistry · 2023 · 13 citations · Full text