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4 ta ish

Ish: Macromolecular scaffolds with nitrogen–sulfur motifs: Dual α-glucosidase and urease inhibition with molecular docking and mechanistic evaluation

  1. Tailored pyrrole-based imidazothiazole scaffolds: Synthetic elaboration, enzyme kinetic profiling and DFT-guided molecular docking toward Antidiabetic therapeutics

    Zanib Fiaz, Shoaib Khan, Tayyiaba Iqbal +6

    MaqolaNatural Antidiabetic Agents StudiesComputational Biology and Chemistry20261 iqtibos
    ABI

  2. Deciphering enzyme inhibition of thiazole assemblies for diabetes management via molecular docking, dynamic simulation, DFT and kinetic study: A computational therapeutic strategy

    Uthman Alghamdi, Shoaib Khan, Tayyiaba Iqbal +6

    MaqolaComputational Drug Discovery MethodsComputational Biology and Chemistry20260 iqtibos
    ABI

  3. Tailored pyrazolone–oxadiazole frameworks: synthetic execution, functional enzyme studies, and comprehensive docking–DFT-based antidiabetic investigation

    Tayyiaba Iqbal, Mohamed A. Habib, Muhammad Salim Khan +5

    MaqolaNatural Antidiabetic Agents StudiesFuture Medicinal Chemistry20260 iqtibos
    ABI

  4. Computationally driven discovery of thieno-pyridine thiadiazoles: a synthesis, DFT, docking and dynamics roadmap toward multitarget antidiabetic therapy

    Shoaib Khan, Mohamed A. Habib, Tayyiaba Iqbal +5

    MaqolaSynthesis and biological activityJournal of Computer-Aided Molecular Design20260 iqtibos
    ABI