Drug Development for Hematological Cancer Targets Using Asclepius
Crucitti D, Pérez Míguez C, Piñeiro Fiel M, Diaz Arias J, Gómez Fernández J, Mosquera Orgueira A, Zeidan A. Drug Development for Hematological Cancer Targets Using Asclepius. Blood 2024, 144: 7464-7464. DOI: 10.1182/blood-2024-198610.Peer-Reviewed Original ResearchStructure-based drug design approachBinding energy evaluationComputational chemistry calculationsBiological targetsDrug design approachMolecular dynamics simulationsFree energy techniquesSynthetic stepsChemistry calculationsSynthetic accessibilityADMET profileSynthetic costArray of moleculesMolecular dockingDynamics simulationsDrug designNovel inhibitorsDrug discoveryADMETMoleculesStructural conformationIdentified inhibitorsProtein targetsHematological cancersIntegration of artificial intelligence