Combining pharmacophore models derived from DNA-encoded chemical libraries with structure-based exploration to predict Tankyrase 1 inhibitors
Alba L. Montoya, Marta Glavatskikh, Brayden J. Halverson, Lik Hang Yuen, H. Schüler, Dmitri Kireev, Raphael M. Franzini
Topics & Concepts
PharmacophoreChemistryChemical spaceLigand efficiencyComputational biologyDrug discoveryChemical libraryLigand (biochemistry)Combinatorial chemistryLinkerTarget proteinSmall moleculeDNAVirtual screeningStereochemistryBiochemistryComputer scienceBiologyGeneReceptorOperating systemCancer therapeutics and mechanismsBiochemical and Molecular ResearchRNA and protein synthesis mechanisms