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Synthesis, X-ray, spectroscopic characterizations, DFT calculations, Hirschfeld surface analyses, molecular docking, and molecular dynamic simulations of some 1,4-benzothiazine-1,1-dioxide derivatives as human kinase CK2 inhibitors

Ezaddine Irrou, Younesse Ait Elmachkouri, Venkatramanan Varadharajan, Hanae El Monfalouti, El Hassane Anouar, Tuncer Hökelek, Joel T. Mague, Hassan Ouachtak, El Mokhtar Essassi, Mohamed Labd Taha, Nada Kheira Sebbar

2024Journal of Molecular Structure10 citationsDOI

Topics & Concepts

BenzothiazineChemistryKnoevenagel condensationDimethylformamideDocking (animal)Molecular dynamicsComputational chemistryNuclear chemistryOrganic chemistrySolventMedicineNursingCatalysisSynthesis and biological activityQuinazolinone synthesis and applicationsPhenothiazines and Benzothiazines Synthesis and Activities
Synthesis, X-ray, spectroscopic characterizations, DFT calculations, Hirschfeld surface analyses, molecular docking, and molecular dynamic simulations of some 1,4-benzothiazine-1,1-dioxide derivatives as human kinase CK2 inhibitors | Litcius