Muhammad T. Ibrahim

Ahmadu, BO, Nigeria

Last Updated: 09/26/2026

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Found 21 publications

QSAR, molecular docking, molecular dynamics and DFT-based design of novel Quinoline-2-yl (piperazin-1-yl) inhibitors of hepatitis C virus.

QSAR, molecular docking, molecular dynamics and DFT-based design of novel Quinoline-2-yl (piperazin-1-yl) inhibitors of hepatitis C virus.

Journal: NAM journal

Published: June 29, 2026

First report of Schistocerca gregaria oil fractions against multidrug-resistant Pseudomonas aeruginosa clinical isolates.

First report of Schistocerca gregaria oil fractions against multidrug-resistant Pseudomonas aeruginosa clinical isolates.

Journal: Natural product research

Published: September 29, 2025

Integrating machine learning and molecular simulations for the design of potent HDAC2 inhibitors in diffuse large B-cell lymphoma.

Integrating machine learning and molecular simulations for the design of potent HDAC2 inhibitors in diffuse large B-cell lymphoma.

Journal: Computational biology and chemistry

Published: September 21, 2025

Computational optimization of MALT1 inhibitors against DLBCL: a QSAR-guided molecular docking and dynamics study.

Computational optimization of MALT1 inhibitors against DLBCL: a QSAR-guided molecular docking and dynamics study.

Journal: In silico pharmacology

Published: June 06, 2025

Computer-aided design process of possible antisickling agents using molecular docking, pharmacokinetic assessment, homology modeling, and molecular dynamic studies targeting Hba protein.

Computer-aided design process of possible antisickling agents using molecular docking, pharmacokinetic assessment, homology modeling, and molecular dynamic studies targeting Hba protein.

Journal: In silico pharmacology

Published: January 27, 2025

In silico exploration of novel EGFR-targeting compounds: integrative molecular modeling, docking, pharmacokinetics, and MD simulations for advancing anti-cervical cancer therapeutics.

In silico exploration of novel EGFR-targeting compounds: integrative molecular modeling, docking, pharmacokinetics, and MD simulations for advancing anti-cervical cancer therapeutics.

Journal: Scientific reports

Published: December 05, 2024

Virtual screening and molecular dynamics studies of novel small molecules targeting Schistosoma mansoni DHODH: identification of potential inhibitors.

Virtual screening and molecular dynamics studies of novel small molecules targeting Schistosoma mansoni DHODH: identification of potential inhibitors.

Journal: In silico pharmacology

Published: May 13, 2024

Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.

Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.

Journal: PLoS neglected tropical diseases

Published: February 03, 2024

Unveiling potent inhibitors for schistosomiasis through ligand-based drug design, molecular docking, molecular dynamics simulations and pharmacokinetics predictions.

Unveiling potent inhibitors for schistosomiasis through ligand-based drug design, molecular docking, molecular dynamics simulations and pharmacokinetics predictions.

Journal: PloS one

Published: January 29, 2024

Molecular modelling studies of substituted indole derivatives as novel influenza a virus inhibitors.

Molecular modelling studies of substituted indole derivatives as novel influenza a virus inhibitors.

Journal: Journal of biomolecular structure & dynamics

Published: November 15, 2023

Ligand based-design of potential schistosomiasis inhibitors through QSAR, homology modeling, molecular dynamics, pharmacokinetics, and DFT studies.

Ligand based-design of potential schistosomiasis inhibitors through QSAR, homology modeling, molecular dynamics, pharmacokinetics, and DFT studies.

Journal: Journal of Taibah University Medical Sciences

Published: November 08, 2023

Retraction notice to "In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions" [Heliyon 8, 2022 Article e10101].

Retraction notice to "In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions" [Heliyon 8, 2022 Article e10101].

Journal: Heliyon

Published: September 13, 2023

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Last Updated: 09/26/2026