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Synthesis, characterization, DFT, and in-Silico analysis of isoxazole-thiazolidinone hybrids: Reactivity and anticancer potential assessed through pharmacological network, molecular dynamics, molecular docking, and ADMET analysis

Ali Altharawi, Mohamed Enneiymy, Younesse Ait Elmachkouri, Taibah Aldakhil

2025Journal of Molecular Structure10 citationsDOI

Topics & Concepts

ChemistryIn silicoIsoxazoleMolecular dynamicsDocking (animal)Computational chemistryComputational biologyCombinatorial chemistryStereochemistryBiochemistryGeneMedicineNursingBiologySynthesis and biological activityComputational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic Compounds
Synthesis, characterization, DFT, and in-Silico analysis of isoxazole-thiazolidinone hybrids: Reactivity and anticancer potential assessed through pharmacological network, molecular dynamics, molecular docking, and ADMET analysis | Litcius