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M. Shahab

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Open access Sep 2026

Unraveling the Anti‐Arthritic Potential of Bioactive Compounds From Melaleuca alternifolia Oil: Integrated In Vivo, Molecular Docking, and Network Pharmacology Insights

MAO possesses considerable anti‐arthritic properties by downregulating pro‐inflammatory biomarkers such as IL‐1β, NF‐κB, IL‐6, TNF‐α, IL‐6, and NF‐κB and pro‐inflammatory biomarkers such as TNF‐α, IL‐1β, IL‐6, and NF‐κB were significantly downregulated in the arthritic control group.

Sana Sabir, A. Mobashar, H. Kamli et al. · 0 citations
Open access Jul 2026

Machine learning–driven identification of PIM2 kinase inhibitors through QSAR modeling and molecular dynamics simulations

An integrated machine learning–guided computational pipeline was developed to identify potential PIM2 inhibitors by combining quantitative structure–activity relationship (QSAR) modeling, virtual screening, molecular docking, molecular dynamics simulations, and pharmacokinetic prediction, highlighting the potential of...

A. Fahira, M. Shahab, Zaheer Ud Din et al. · 0 citations

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