Future Medicinal Chemistry · 2020 · 10 citations · 32 references
PharmacyChemistryMedicinal ChemistryDrug DesignDrug DiscoveryStructure-activity RelationshipsLead Compound DesignMolecular ModelingStructure-activity Relationship AnalysisComputational Molecular ModelingEnthalpic InteractionsFluorination EffectsFluorine ChemistryNitro Compounds
Our studies culminated in 1b, a compound 60-fold more potent in cruzain than its lead that also showed entropic and enthalpic contributions favorable to Gibbs binding energy.
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