Angewandte Chemie International Edition · 2010 · 121 citations · 14 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryStructure-activity RelationshipsLigand-based DesignNatural Product Drug DiscoveryNatural Product-based Drug DesignPotency OptimizationStructure-activity Relationship AnalysisVirtual ScreeningDiscoveryStructure-based ScreeningTargeting
Small but effective: two natural-product-like inhibitors of tumor necrosis factor α (TNF-α; represented in green in the picture) have been identified using structure-based virtual screening. These compounds represent only the third and fourth examples of direct targeting of TNF-α by a small molecule, and display potency comparable to that of the strongest TNF-α inhibitor reported to date.
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Small-Molecule Inhibition of TNF-α
Molly M. He, Annemarie Stroustrup, Johan D. Oslob et al. · Science · 2005 · 598 citations
James R. Burke, Mark A. Pattoli, Kurt R. Gregor et al. · Journal of Biological Chemistry · 2003 · 547 citations · Full text