Discovery of small-molecule PD-1/PD-L1 antagonists through combined virtual screening and experimental validation
Michelle DiFrancesco, Jeremy Hofer, Abhay G. Aradhya, J. Rufinus, John W. Stoddart, Stephen Finocchiaro, Jabari Mani, Sean Tevis, Michael Visconti, Griffin Walawender, Juliette DiFlumeri, Elena Fattakhova, Sachin Patil
Topics & Concepts
Virtual screeningDocking (animal)Small moleculeHigh-throughput screeningProtein–protein interactionChemistryMoleculeComputational biologyBinding siteDrug discoveryCombinatorial chemistryBiochemistryBiologyMedicineNursingOrganic chemistryComputational Drug Discovery MethodsMonoclonal and Polyclonal Antibodies ResearchCancer Immunotherapy and Biomarkers