Emmanuel Israel Edache

Cheminformatics-based discovery of new organoselenium compounds with potential for the treatment of cutaneous and visceral leishmaniasis

Fabian Audu Ugbe, Gideon Adamu Shallangwa, Adamu Uzairu et al. · Journal of Biomolecular Structure and Dynamics · 2023 · 36 citations

QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate

Emmanuel Israel Edache, Adamu Uzairu, Paul Andrew Mamza et al. · Journal of Genetic Engineering and Biotechnology · 2022 · 35 citations · Full text

Computational evaluation of the inhibitory potential of some urea, thiourea, and selenourea derivatives of diselenides against leishmaniasis: 2D-QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation

Fabian Audu Ugbe, Emmanuel Israel Edache, Shola Elijah Adeniji et al. · Journal of Molecular Structure · 2024 · 35 citations

Medicinal Chemistry, Biochemistry, Inhibitory Potential +10

Structure-based simulated scanning of rheumatoid arthritis inhibitors: 2D-QSAR, 3D-QSAR, docking, molecular dynamics simulation, and lipophilicity indices calculation

Emmanuel Israel Edache, Adamu Uzairu, Paul Andrew Mamza et al. · Scientific African · 2021 · 25 citations · Full text

Engineering, Immunology, Molecular Dynamics Simulation +19

Methimazole and propylthiouracil design as a drug for anti-graves' disease: Structural studies, Hirshfeld surface analysis, DFT calculations, molecular docking, molecular dynamics simulations, and design as a drug for anti-graves' disease

Emmanuel Israel Edache, Adamu Uzairu, Paul Andrew Mamza et al. · Journal of Molecular Structure · 2023 · 21 citations

Medicinal Chemistry, Biochemistry, Drug Design +9