Molekul · 2020 · 26 citations · 10 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryMolecular PharmacologyDiabetes MellitusEnzyme DiscoveryEnzyme InhibitionMolecular DockingProtein DockingProtein-ligand DockingAntidiabetic ActivityDocking-based Drug DesignDrug Toxicity PredictionGlucose ConcentrationIn Silico Toxicity PredictionMolecular Docking AnalysisMolecular Docking For EnzymesPolyol Pathway
Aldose reductase is an enzyme that catalyzes one of the steps in the sorbitol (polyol) pathway that is responsible for fructose formation from glucose. In diabetes, aldose reductase activity increases as the glucose concentration increases. The purpose of this research was to identify and develop the use of artemisinin as an anti-diabetic candidate through in silico studies, including reverse docking, receptor analysis, molecular docking, drug scan, absorption, and distributions and toxicity prediction of artemisinin. Based on the results, we conclude that artemisinin can be used as an anti-diabetic candidate through inhibition of aldose reductase
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Rusting of the Lock and Key Model for Protein-Ligand Binding
William L. Jorgensen · Science · 1991 · 228 citations