Coumarin–amino acid hybrids as promising anticancer agents: design, synthesis, docking studies and CK2 inhibition
Abd-Allah S. El-Etrawy, A. Ramadan, Farag F. Sherbiny, Ibrahim Zeid, Adel A.‐H. Abdel‐Rahman, Mohamed A. Hawata
Abstract
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.
Topics & Concepts
CoumarinDocking (animal)ChemistryDoxorubicinAmino acidCombinatorial chemistryStereochemistryBiochemistryOrganic chemistryBiologyGeneticsMedicineNursingChemotherapyChemical Synthesis and AnalysisCancer therapeutics and mechanismsPhosphodiesterase function and regulation