MUSTAFA ALHAJI ISA

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Publications (54)

• Development and evaluation of a standardized QSAR workflow for predicting small-molecule bioactivity across antibacterial, antifungal, and antiviral targets
  In Silico Research in Biomedicine 2026 DOI: 10.1016/j.insi.2026.100501
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• Computational and deep learning-assisted multi-epitope vaccine design targeting the RNA-dependent RNA polymerase of Nipah virus
  In Silico Research in Biomedicine 2026 DOI: 10.1016/j.insi.2026.100243
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• Uncovering Zika virus-specific neurodevelopmental disruptions through deep learning and transcriptomic profiling of human neural cells
  In Silico Research in Biomedicine 2026 DOI: 10.1016/j.insi.2025.100152
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• Molecular detection of blaTEM in multidrug-resistant E. coliand deep learning-assisted computational identification of phytochemical inhibitors from Detarium microcarpum
  In Silico Research in Biomedicine 2026 DOI: 10.1016/j.insi.2026.100251
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• Machine learning-driven discovery of antimicrobial peptides targeting the GAPDH-TPI protein-protein interaction in Schistosoma mansoni for novel antischistosomal therapeutics
  Computational Biology and Chemistry 2025 DOI: 10.1016/j.compbiolchem.2025.108501
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• In silico identification of potential inhibitors for the universal stress G4LZI3 protein from Schistosoma mansoni using molecular docking and molecular dynamics simulation analyses
  Aspects of Molecular Medicine 2025 DOI: 10.1016/j.amolm.2025.100084
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• Exploring phytoconstituents through molecular dynamics simulation: uncovering potential inhibitors for multiple targeted pathways in breast cancer
  Journal of Proteins and Proteomics 2025 DOI: 10.1007/s42485-025-00176-w
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• Molecular detection of mecA gene from methicillin-resistant Staphylococcus aureus isolated from clinical and environmental samples and its potential inhibition by phytochemicals using in vitro and in silico approach
  In Silico Pharmacology 2025 DOI: 10.1007/s40203-024-00297-y
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• Synthesis, molecular dynamics simulation and antimicrobial activity of novel s-triazine clubbed with three different hybrid pharmacophores
  Biochemical and Biophysical Research Communications 2025 DOI: 10.1016/j.bbrc.2025.151358
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• Identification of novel 3-dehydroquinate dehydratase (DHQD) inhibitors for anti-tuberculosis activity: insights from virtual screening, molecular docking, and dynamics simulations
  In Silico Pharmacology 2025 DOI: 10.1007/s40203-024-00298-x
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