Pyrazolopyrimidine fused thiazolidinone hybrids as CDK2 inhibitors: insights from pharmacophore modeling, docking, DFT and molecular dynamics simulations
Bharath Kumar Chagaleti, Venkatesan Saravanan, Ali Oubella, Saad H. Alotaibi, Ali Altharawi, Kathiravan MK
Topics & Concepts
ChemistryPharmacophoreDocking (animal)Molecular dynamicsComputational chemistryMolecular modelCombinatorial chemistryStereochemistryNursingMedicineSynthesis and Reactivity of HeterocyclesCancer therapeutics and mechanismsSynthesis and biological activity