Get started
Author

Emmanuel Israel Edache

Observed names: Edache, Emmanuel, Edache, Emmanuel Israel, Emmanuel EDACHE, Emmanuel Edache, Emmanuel Israel EDACHE, Emmanuel Isreal Edache, Israel Emmanuel Edache
ORCID: 0000-0002-5485-0583
Observed ORCIDs: 0000-0002-5485-0583, 0000-0002-8109-9422
OpenAlex ID: A5034554869
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
2024 · Fabian Audu Ugbe, Emmanuel Israel Edache, et al. · Journal of Molecular Structure · 52
Cheminformatics-based discovery of new organoselenium compounds with potential for the treatment of cutaneous and visceral leishmaniasis
2023 · Fabian Audu Ugbe, Gideon Adamu Shallangwa, et al. · Journal of Biomolecular Structure and Dynamics · 49
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
2022 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Journal of Genetic Engineering and Biotechnology · 38
PDF
Structure-based simulated scanning of rheumatoid arthritis inhibitors: 2D-QSAR, 3D-QSAR, docking, molecular dynamics simulation, and lipophilicity indices calculation
2021 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Scientific African · 33
PDF
DFT studies on structure, electronics, bonding nature, NBO analysis, thermodynamic properties, molecular docking, and MM-GBSA evaluation of 4-methyl-3-[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid: a potent inhibitor of Graves’ disease
2024 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Journal of Umm Al-Qura University for Applied Sciences · 25
PDF
Evaluation of dimedone-derived compounds as inhibitors against human colon cancer: Insights from 2D-QSAR, ADMET prediction, Osiris, Molinspiration, and molecular modeling
2023 · Khaoula MKHAYAR, Kaouakeb ELKHATTABI, et al. · Chinese Journal of Analytical Chemistry · 23
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
2023 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Journal of Molecular Structure · 22
Drug-like screening, molecular docking, molecular dynamics simulations, and binding free energies on the interaction of pyrazole derivatives as inhibitors of lysosomal storage disorders and anticancer activity
2024 · Emmanuel Israel Edache, Adebiyi Adedayo, et al. · Discover Chemistry. · 21
PDF
Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease
2023 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Frontiers in Molecular Biosciences · 21
Cheminformatic evaluation of the multi-protein binding potential of some diselenide derivatives: A plausible drug discovery approach for leishmaniasis
2024 · Fabian Audu Ugbe, Emmanuel Israel Edache, et al. · Discover Chemistry. · 16
PDF
Design of some potent non-toxic Autoimmune disorder inhibitors based on 2D-QSAR, CoMFA, molecular docking, and molecular dynamics investigations
2024 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Intelligent Pharmacy · 16
In-silico screening and ADMET evaluation of therapeutic MAO-B inhibitors against Parkinson disease
2023 · Abduljelil Ajala, Wafa Ali Eltayb, et al. · Intelligent Pharmacy · 16
Investigation of salicylidene acylhydrazides derivatives: Molecular Docking, ADMET, and Molecular Dynamic Simulations were used in conjunction towards the design of new Yersinia pseudotuberculosis inhibitors
2022 · Emmanuel EDACHE, Adamu UZAİRU, et al. · Turkish computational and theoretical chemistry/Turkish computational and theoretical chemistry : · 14
PDF
Theoretical Investigation of the Cooperation of Iminoguanidine with the Enzymes-Binding Domain of Covid-19 and Bacterial Lysozyme Inhibitors and their Pharmacokinetic Properties
2022 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Journal of the Mexican Chemical Society · 12
PDF
Evaluation of novel Anti-SARS-CoV-2 compounds by targeting nucleoprotein and envelope protein through homology modeling, docking simulations, ADMET, and molecular dynamic simulations with the MM/GBSA calculation
2024 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Intelligent Pharmacy · 11
2D-QSAR, Docking, Molecular Dynamics Simulations with the MM/GBSA Approaches against Graves' Disease and PTPN22
2023 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Borneo Journal of Pharmacy · 11
PDF
A Mathematical Modeling and Molecular Dynamic Simulations in the Investigation of Novel Type I Diabetes Treatment
2021 · Emmanuel Israel Edache · Biomedical Journal of Scientific & Technical Research · 10
PDF
Towards designing of some potential new autoimmune disorder inhibitors using crystal structures and Hirshfeld surface analyses in combination with molecular docking and molecular dynamics simulations
2023 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Intelligent Pharmacy · 9
A comparative QSAR analysis, 3D-QSAR, molecular docking and molecular design of iminoguanidine-based inhibitors of HemO: A rational approach to antibacterial drug design
2020 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Journal of Drugs and Pharmaceutical Science · 9
PDF
Virtual screening, pharmacokinetics, and molecular dynamics simulations studies to identify potent approved drugs for Chlamydia trachomatis treatment
2021 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Future Journal of Pharmaceutical Sciences · 8
PDF
Docking Simulations and Virtual Screening to find Novel Ligands for T3S in Yersinia pseudotuberculosis YPIII, A drug target for type III secretion (T3S) in the Gram-negative pathogen Yersinia pseudotuberculosis
2021 · Emmanuel Edache, Uzairu Adamu, et al. · DOAJ (DOAJ: Directory of Open Access Journals) · 8
Mechanism of action of substituted peramivir phosphonate derivatives as potent oseltamivir-resistant influenza A virus using molecular docking, molecular dynamics simulations, and free energies calculations
2025 · Emmanuel Israel Edache, Fabian Audu Ugbe, et al. · Discover Chemistry. · 7
PDF
Exploring the potential of aqueous extracts of Artemisia annua ANAMED ( A3 ) for developing new anti‐malarial agents: In vivo and silico computational approach
2023 · Victor Onukwube Apeh, Kennedy Chinedu Okafor, et al. · Engineering Reports · 7
PDF
In-silico Discovery and Simulated Selection of Multi-target Anti-HIV-1 Inhibitors
2016 · Emmanuel Edache, Hambali Hambali, et al. · International Research Journal of Pure and Applied Chemistry · 7
Investigation of 5,6-dihydro-2-pyrones derivatives as potent anti-HIV agents inhibitors
2015 · Emmanuel Israel Edache, Adamu Uzairu, et al. · Journal of computational methods in molecular design · 7
Works count: 52
Citation count: 500
H-index: 13
I10-index: 17
Year
Topic
Type