Journal of Combinatorial Chemistry · 2010 · 30 citations · 31 references
1-Oxo-1,2-dihydroisoquinoline ScaffoldsAntiviral DrugChemical BiologyPharmaceutical ChemistryMedicinal ChemistryAntiviral Drug DevelopmentInhibitory ActivityVitro EvaluationBiochemistryNeurovirologyVirologyPharmacologyAntiviral CompoundNatural SciencesWnv Protease InhibitorAntiviral TherapyProtein EngineeringMedicineMammalian Serine ProteasesDrug Discovery
The 1-oxo-1, 2, 3, 4-tetrahydroisoquinoline and 1-Oxo-1, 2-dihydroisoquinoline scaffolds were utilized in the design and solution phase synthesis of focused libraries of compounds for screening against West Nile Virus (WNV) protease. Exploratory studies have led to the identification of a WNV protease inhibitor (a 1-oxo-1, 2-dihydroisoquinoline-based derivative, 12j) which could potentially serve as a launching pad for a hit-to-lead optimization campaign. The identified hit was devoid of any inhibitory activity toward a panel of mammalian serine proteases.
31
A new model for calculating atomic charges in molecules
Johann Gasteiger, Mario Marsili · Tetrahedron Letters · 1978 · 599 citations