RSC Advances · 2024 · 11 citations · 35 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryStructure-activity RelationshipsAmino Acid ChemistryLigand BindingLigand-based DesignMolecular DockingProtein-ligand BindingProtein-ligand DockingAnticancer ActivityAnticancer ChemotherapyChemical Enzyme InhibitorsDocking-based Drug DesignMechanism-based Drug DesignMolecular Docking Of InhibitorsSar Interpretation
value of 0.251 ± 0.011 μM. Finally, the binding mode of the chemical inhibitors at the active site of CK2 receptor was also investigated using a docking study which confirmed that the presence of the amino acid functionality is an important feature for anticancer activity and the synthesized compounds showed favorable ADME properties. Besides that, SAR analysis was implemented for the target compounds.
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