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Author

Nouman Ali

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Sep 2026

Fragment-Based AI Optimization of Tranexamic Acid Derivatives Targeting the Kringle 1 Lysine-Binding Site of Human Plasminogen: An Integrated Computational Study for Postpartum Hemorrhage

Postpartum hemorrhage remains a leading cause of maternal mortality worldwide, frequently associated with excessive fibrinolysis mediated by plasminogen activation. Tranexamic acid (TXA) is widely used as an antifibrinolytic agent; however, optimization of its scaffold may improve binding characteristics and pharmacolo...

Sinan Karageçili, Deniz Inan, Nouman Ali · 0 citations
Open access Jul 2026

In silico discovery and interaction analysis of a Datura stramonium defensin-like peptide targeting cancer-related receptors.

Overall, the simulations indicate persistent peptide-receptor association and stable structural behavior of the complexes at the computational level, however, molecular docking and molecular dynamics simulations do not demonstrate functional inhibition of EGFR, ERBB2, or VEGFR-3, nor do they confirm anticancer efficacy...

Shehla Javaid, Zahid Mushtaq, A. Jamil et al. · 0 citations

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