Virtual screening based on pharmacophore model for developing novel HPPD inhibitors
Jiayu Wang, Shuang Gao, Juan Shi, Hai‐Feng Cao, Tong Ye, Mingli Yue, Fei Ye, Ying Fu
Topics & Concepts
PharmacophoreVirtual screeningIn silicoDocking (animal)ChemistryMolecular dynamicsStereochemistryActive siteLigand (biochemistry)DOCKEnzymeIC50Binding siteRational designMolecular modelSmall moleculeComputational biologyCombinatorial chemistryBiochemistryIn vitroBiologyReceptorComputational chemistryGeneticsGeneMedicineNursingSynthesis and Biological EvaluationCancer therapeutics and mechanismsClick Chemistry and Applications