Novel isatin–triazole based thiosemicarbazones as potential anticancer agents: synthesis, DFT and molecular docking studies
Alia Mushtaq, Rabbia Asif, Waqar Ahmed Humayun, Muhammad Moazzam Naseer
Abstract
Synthesis of mono- and bis-thiosemicarbazones 4a–h and 5a–h of isatin–triazole hybrids 3a and 3b in turn accessed via CuAAC, their DFT studies and potential as phosphoinositide 3-kinase (PI3K) inhibitors has been evaluated in this study.
Topics & Concepts
IsatinChemistryDocking (animal)Combinatorial chemistryTriazoleStereochemistryOrganic chemistryMedicineNursingSynthesis and biological activityMetal complexes synthesis and propertiesComputational Drug Discovery Methods