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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

Nouman Ali

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Open access Oct 2026

Structure-based computational prioritization of Emodin-8-glucoside as a candidate ligand for the VEGFR1 kinase domain in the context of placenta previa

Placenta previa is a serious obstetric condition associated with abnormal placental implantation and hemorrhagic complications, for which no targeted pharmacological therapy is established. This study applied an integrated structure-based computational workflow to explore the intracellular VEGFR1 kinase domain as a can...

Deniz Inan, Sinan Karageçili, Nouman Ali · 0 citations
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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