2021
Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease
Deshmukh MG, Ippolito JA, Zhang CH, Stone EA, Reilly RA, Miller SJ, Jorgensen WL, Anderson KS. Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure 2021, 29: 823-833.e5. PMID: 34161756, PMCID: PMC8218531, DOI: 10.1016/j.str.2021.06.002.Peer-Reviewed Original ResearchConceptsMain proteaseSARS-CoV-2 main proteaseActive site flexibilityDetailed structural insightsStructure-activity relationshipsInhibitor design effortsLow micromolar rangeActive site cysteineChemical scaffoldsLow nanomolar rangeCovalent adductsStructure-guided designCrystal structureStructural insightsPharmacophoreAdductsAttractive targetScaffoldsCysteineAnaloguesMechanism of actionSupRangeStructure
2014
Identification of Inhibitors of Inositol 5‑Phosphatases through Multiple Screening Strategies
Pirruccello M, Nandez R, Idevall-Hagren O, Alcazar-Roman A, Abriola L, Berwick SA, Lucast L, Morel D, De Camilli P. Identification of Inhibitors of Inositol 5‑Phosphatases through Multiple Screening Strategies. ACS Chemical Biology 2014, 9: 1359-1368. PMID: 24742366, PMCID: PMC4076014, DOI: 10.1021/cb500161z.Peer-Reviewed Original ResearchMeSH KeywordsCells, CulturedDermisElectrophoretic Mobility Shift AssayEnzyme InhibitorsFibroblastsFluorescence PolarizationHigh-Throughput Screening AssaysHumansInositol Polyphosphate 5-PhosphatasesMolecular StructurePhosphatidylinositol PhosphatesPhosphoric Monoester HydrolasesRosaniline DyesSignal TransductionSmall Molecule LibrariesThiadiazolesTriazolesConceptsPhosphoinositide-metabolizing enzymesGrowth factor signalingSmall molecule modulatorsIdentification of inhibitorsFamily of enzymesMembrane traffickingActin nucleationCytoskeletal dynamicsCell cortexPhosphoinositide levelsCatalytic domainFactor signalingMolecule modulatorsHigh-throughput screeningLiving cellsSpecific inhibitorActivity assaysMembrane phospholipidsDirect interactionCell proliferationChemical scaffoldsPowerful research toolPotential therapeutic applicationsOCRLPhosphoinositide
2010
A Myosin V Inhibitor Based on Privileged Chemical Scaffolds
Islam K, Chin HF, Olivares AO, Saunders LP, De La Cruz EM, Kapoor TM. A Myosin V Inhibitor Based on Privileged Chemical Scaffolds. Angewandte Chemie International Edition 2010, 49: 8484-8488. PMID: 20878825, PMCID: PMC3063097, DOI: 10.1002/anie.201004026.Peer-Reviewed Original ResearchDevelopment of effective PET and SPECT imaging agents for the serotonin transporter: has a twenty-year journey reached its destination?
Huang Y, Zheng MQ, Gerdes JM. Development of effective PET and SPECT imaging agents for the serotonin transporter: has a twenty-year journey reached its destination? Current Topics In Medicinal Chemistry 2010, 10: 1499-526. PMID: 20583995, DOI: 10.2174/156802610793176792.Peer-Reviewed Original ResearchConceptsChemical scaffoldsPositron emission tomographySerotonin transporterTwenty-year journeyImaging tracerFunction of SERTRelated compoundsNon-specific bindingSingle photon emissionRadiotracer developmentSpecific binding signalsPromising radiotracerAlzheimer's diseaseEmission tomographyNeurodegenerative disordersNeuropsychiatric disordersSPECT radiotracerSubstance abusePharmacological propertiesDiseaseScaffoldsTerms of tissueSPECTDiarylsulfidesVivo
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