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Structural investigation of tetrahydropteridin analogues as selective PLK1 inhibitors for treating cancer through combined QSAR techniques, molecular docking, and molecular dynamics simulations

Jianbo Tong, Ding Luo, Shuai Bian, Xing Zhang

2021Journal of Molecular Liquids29 citationsDOI

Topics & Concepts

PLK1Docking (animal)ChemistryMolecular dynamicsQuantitative structure–activity relationshipRational designComputational biologyDrug designCombinatorial chemistryStereochemistryBiochemistryComputational chemistryBiologyNanotechnologyMaterials scienceMedicineCellNursingCell cycleProtein Degradation and InhibitorsMicrotubule and mitosis dynamicsAdvanced biosensing and bioanalysis techniques
Structural investigation of tetrahydropteridin analogues as selective PLK1 inhibitors for treating cancer through combined QSAR techniques, molecular docking, and molecular dynamics simulations | Litcius