Muhammad Tukur Ibrahim

ORCID, self-asserted

ORCID 0000-0002-6146-5667

Publications

Citations

594

h-index

Computed over the works the graph holds, so it is a floor rather than a career figure.

i10-index

Publications

79 works in the graph, newest first.

Computational design and evaluation of anilinoquinazoline derivatives as potential anti-tuberculosis agents: DFT, docking, ADMET, and molecular dynamics simulation
2026The MicrobeJournalOpen access2 citations10.1016/j.microb.2026.100683
Computational design and evaluation of novel thienopyrimidine PI3Kδ inhibitors for diffuse large b-cell lymphoma: QSAR, docking, molecular dynamics, and density functional theory studies
2026Current Pharmaceutical AnalysisJournalOpen accessSenior author1 citations10.1016/j.cpan.2026.03.005
Investigating novel chloride conductance activators for cystic fibrosis: Molecular docking and pharmacokinetics analysis of 3- (2-benzyloxy phenyl)isoxazoles and isoxazolines derivatives
2026In Silico Research in BiomedicineJournalOpen access0 citations10.1016/j.insi.2026.100211
Machine Learning– driven discovery and optimization of PI3Kδ inhibitors for diffuse large B-cell lymphoma
2026Scientific AfricanJournalOpen accessSenior author0 citations10.1016/j.sciaf.2026.e03206
Quantum-chemistry informed Bayesian optimization for the accelerated discovery of novel pyrazole-based energetic materials
2026Artificial Intelligence ChemistryJournalOpen accessSenior author0 citations10.1016/j.aichem.2026.100110
Integrating machine learning and molecular simulations for the design of potent HDAC2 inhibitors in diffuse large B-cell lymphoma
2026Computational Biology and ChemistryJournalSenior author0 citations10.1016/j.compbiolchem.2026.108949
Chemoinformatics-based discovery of new indole-1,2,4 triazole analogues with potential for the treatment of typhoid fever
2026Discover Chemistry.JournalOpen accessSenior author0 citations10.1007/s44371-026-00559-y
Synthesis, Characterization and Antimicrobial Assessment of Moxifloxacin-Loaded Chitosan Nanoparticles
2026BioNanoScienceJournal0 citations10.1007/s12668-026-02510-y
In silico design of some potent antioxidant compounds using 2D-QSAR, molecular docking and ADMET studies
2026Current Pharmaceutical AnalysisJournalOpen accessSenior author0 citations10.1016/j.cpan.2026.03.011
In silico exploration of novel EGFR-targeting compounds: integrative molecular modeling, docking, pharmacokinetics, and MD simulations for advancing anti-cervical cancer therapeutics
2025Scientific ReportsJournalOpen access14 citations10.1038/s41598-025-91135-4
Computational design, pharmacokinetics, molecular docking and molecular dynamic simulation of novel anti-tubercular inhibitors
2025In Silico Research in BiomedicineJournalOpen access13 citations10.1016/j.insi.2025.100012
In silico exploration of 6-sulfonyl-8-nitrobenzothiazinone derivatives as mycobacterium tuberculosis GyrB inhibitors: Molecular docking, md simulation, DFT, and pharmacokinetic studies
2025In Silico Research in BiomedicineJournalOpen access11 citations10.1016/j.insi.2025.100018
Novel design and in silico optimization of 5-azaquinazoline-based IRAK4 inhibitors using qsar, docking, pharmacokinetics, and molecular dynamics for diffuse large B-Cell lymphoma
2025In Silico Research in BiomedicineJournalOpen accessSenior author11 citations10.1016/j.insi.2025.100047
Quantitative structure-activity relationship-guided design and molecular modeling of anaplastic lymphoma kinase L1196M inhibitors: overcoming drug resistance through docking, ADMET (absorption, distribution, metabolism, excretion, and toxicity), and density functional theory studies
2025ASPET DiscoveryJournalOpen accessFirst author8 citations10.1016/j.aspetd.2025.100015
Machine learning–guided optimization of MALT1 inhibitors for diffuse large B-cell lymphoma via QSAR modelling, molecular docking, ADMET profiling, and molecular dynamics simulations
2025Letters in Drug Design & DiscoveryJournalOpen accessSenior author8 citations10.1016/j.lddd.2025.100208
Molecular Dynamics Simulation, Molecular Docking, ADMET prediction, QSAR modeling and density functional theory computation for the identification of possible Hepatitis C Virus NS5B Protease inhibitors through in silico study of fluorine-2, 7-diamine compounds
2025In Silico Research in BiomedicineJournalOpen accessSenior author6 citations10.1016/j.insi.2025.100104
Computational design and evaluation of hydrantoin derivatives as potential anti-tubercular agents: Insight from ADMET, molecular docking, DFT, and molecular dynamic simulations
2025Letters in Drug Design & DiscoveryJournalOpen access7 citations10.1016/j.lddd.2025.100155
In Silico design and evaluation of novel anti-tubercular agents as Inha inhibitors through a virtual screening approach
2025Discover Chemistry.JournalOpen access4 citations10.1007/s44371-025-00367-w
Integrated QSAR, docking, pharmacokinetics, and molecular dynamics approaches for designing IRAK4 inhibitors against MYD88^L265P-driven diffuse large B-cell lymphoma
2025Discover Chemistry.JournalOpen accessSenior author3 citations10.1007/s44371-025-00391-w
From QSAR to dynamics: A data-driven design of drug-like lactam-based HDAC inhibitors for diffuse large B-cell lymphoma
2025In Silico Research in BiomedicineJournalOpen accessSenior author6 citations10.1016/j.insi.2025.100060
Accelerated discovery of high-density pyrazole-based energetic materials using machine learning and density functional theory
2025Discover Chemistry.JournalOpen accessFirst author4 citations10.1007/s44371-025-00179-y
Unveiling novel VEGFR-2 inhibitors: QSAR modeling, molecular docking, MD and MM-GBSA calculations, pharmacokinetics profiling and DFT studies
2025Scientific AfricanJournalOpen access3 citations10.1016/j.sciaf.2025.e02692
Molecular modeling and optimization of pyranoquinolinone derivatives as potential DNA gyrase inhibitors for typhoid fever treatment: A Comprehensive QSAR, molecular docking, ADMET, and molecular dynamics simulation studies
2025In Silico Research in BiomedicineJournalOpen accessSenior author2 citations10.1016/j.insi.2025.100166
Computational optimization of MALT1 inhibitors against DLBCL: a QSAR-guided molecular docking and dynamics study
2025In Silico PharmacologyJournalSenior author2 citations10.1007/s40203-025-00466-7
Chemoinformatics investigation of newly designed borneol and phenolic diterpenoid derivatives as potential anti-influenza A virus agents
2025Discover Chemistry.JournalOpen accessFirst author1 citations10.1007/s44371-025-00106-1
Identification of potential anti-tubercular inhibitors through virtual screening, DFT, and molecular dynamics simulation studies
2025Current Pharmaceutical AnalysisJournalOpen access2 citations10.1016/j.cpan.2025.11.001
From scaffold to candidate: an integrated machine Learning, QSAR, docking, and molecular dynamics framework for the rational design of IRAK4 inhibitors in diffuse large B-cell lymphoma
2025Network Modeling Analysis in Health Informatics and BioinformaticsJournalSenior author1 citations10.1007/s13721-025-00703-1
Design and evaluation of novel N-Aryl oxamic acid derivatives as potential anti-tubercular inhibitors: A comprehensive molecular modeling study
2025Letters in Drug Design & DiscoveryJournalOpen access1 citations10.1016/j.lddd.2025.100234
First report of Schistocerca gregaria oil fractions against multidrug-resistant Pseudomonas aeruginosa clinical isolates
2025Natural Product ResearchJournal0 citations10.1080/14786419.2025.2559766
Computer-aided design process of possible antisickling agents using molecular docking, pharmacokinetic assessment, homology modeling, and molecular dynamic studies targeting Hba protein
2025In Silico PharmacologyJournalOpen access0 citations10.1007/s40203-025-00424-3
Exploring Elaeis guineensis: Enzyme inhibition, antimicrobial properties, chemical composition and in silico docking analysis
2025AIMS BiophysicsJournalOpen access0 citations10.3934/biophy.2025023
Design and evaluation of novel 1-(5-Isoquinolinesulfonyl) piperazine derivatives as potential Mycobacterium tuberculosis IMPDH Inhibitors: A comprehensive molecular modelling study
2025Scientific AfricanJournalOpen access0 citations10.1016/j.sciaf.2025.e03043
In-silico design of some tetrazoloquinoline analogs as potent inhibitors of DNA gyrase of Salmonella typhi: QSAR modeling, molecular docking, MD simulation, and ADMET profiling
2025In Silico Research in BiomedicineJournalOpen accessSenior author0 citations10.1016/j.insi.2025.100121
Utılızıng Computatıonal Chemıstry To Unravel The Molecular Mechanısms of Cystıc Fıbrosıs Mutatıons And Develop Targeted Therapeutıcs
2025Journal of Physical Chemistry and Functional MaterialsJournalOpen accessFirst author0 citations10.54565/jphcfum.1721789
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
2024Journal of Umm Al-Qura University for Applied SciencesJournalOpen accessSenior author25 citations10.1007/s43994-024-00132-2
Unveiling potent inhibitors for schistosomiasis through ligand-based drug design, molecular docking, molecular dynamics simulations and pharmacokinetics predictions
2024PLoS ONEJournalOpen access24 citations10.1371/journal.pone.0302390
Discovery of new 2,4-diaminopyrimidines derivatives as EGFRT790M kinase inhibitors: a structure-based approach with DFT calculation, drug-likeness, ADME-toxicity properties evaluation and MD simulation
2024Journal of Umm Al-Qura University for Applied SciencesJournalOpen accessFirst authorCorresponding16 citations10.1007/s43994-023-00099-6
Cheminformatic evaluation of the multi-protein binding potential of some diselenide derivatives: A plausible drug discovery approach for leishmaniasis
2024Discover Chemistry.JournalOpen access16 citations10.1007/s44371-024-00026-6
Design of some potent non-toxic Autoimmune disorder inhibitors based on 2D-QSAR, CoMFA, molecular docking, and molecular dynamics investigations
2024Intelligent PharmacyJournalOpen accessSenior author15 citations10.1016/j.ipha.2023.12.009
Ligand based-design of potential schistosomiasis inhibitors through QSAR, homology modeling, molecular dynamics, pharmacokinetics, and DFT studies
2024Journal of Taibah University Medical SciencesJournalOpen access12 citations10.1016/j.jtumed.2024.02.003
Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies
2024PLoS neglected tropical diseasesJournalOpen access12 citations10.1371/journal.pntd.0012453
In-silico exploration and structure-based design of Praziquantel derivatives as potential inhibitors of schistosoma mansoni Glutathione S-transferase (SmGST)
2024Scientific AfricanJournalOpen access9 citations10.1016/j.sciaf.2024.e02169
Biological activity, chemical composition, and molecular docking of Eugenia punicifolia (Kunth) DC
2024Journal of Umm Al-Qura University for Applied SciencesJournalOpen access5 citations10.1007/s43994-024-00160-y
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
2024Intelligent PharmacyJournalOpen accessSenior author10 citations10.1016/j.ipha.2024.02.008
Virtual screening and molecular dynamics studies of novel small molecules targeting Schistosoma mansoni DHODH: identification of potential inhibitors
2024In Silico PharmacologyJournalOpen access7 citations10.1007/s40203-024-00281-6
Computer-aided molecular modeling and design studies of some N-(4-(dimethyl amino) phenyl)-4-methoxy-3-propionamidobenzamide derivatives as NS5B polymerase inhibitors
2024The MicrobeJournalOpen accessSenior author6 citations10.1016/j.microb.2024.100154
QSAR, molecular docking, and pharmacokinetic analysis of thiosemicarbazone-indole compounds targeting prostate cancer cells
2024Journal of Taibah University Medical SciencesJournalOpen access6 citations10.1016/j.jtumed.2024.07.004
Computational modeling and molecular dynamics studies of methyl sulfonyl acetate derivatives as potent SmTGR inhibitors: insights into binding interactions
2024Molecular SimulationJournal5 citations10.1080/08927022.2024.2399150
Computational design of novel therapeutics targeting Schistosomiasis, a neglected tropical disease
2024Scientific AfricanJournalOpen accessFirst author2 citations10.1016/j.sciaf.2024.e02326
Molecular docking Screening, in silico drug design and ADME prediction of 10-amidinobenzonaphthyridines as potent inhibitors of Plasmodium falciparum Lactate Dehydrogenase
2024Turkish computational and theoretical chemistry/Turkish computational and theoretical chemistry :JournalOpen access2 citations10.33435/tcandtc.1503038