Search results for "Dynamic SiteMapping"

showing 1 items of 1 documents

Molecular dynamics, dynamic site mapping, and highthroughput virtual screening on leptin and the Ob receptor as anti-obesity target.

2014

Body weight control is a mechanism finely regulated by several hormonal, metabolic, and nervous pathways. The leptin receptor (Ob-R) is crucial for energy homeostasis and regulation of food uptake. Leptin is a 16 kDa hormone that is mainly secreted by fat cells into the bloodstream, and under normal circumstances, circulating levels are proportionate to the fat body mass. Sensing of elevated leptin levels by the hypothalamic neurocircutry activates a negative feedback loop resulting in reduced food intake and increased energy expenditure. Decreased concentrations lead to opposite effects. Therefore rational design of leptin agonists constitute an appealing challenge in the battle against ob…

Leptinmedicine.medical_specialtyProtein ConformationAdipose tissueDrug designBiologyMolecular Dynamics SimulationDynamic SiteMapping HTVS Leptin Molecular Dynamics Obesity Protein/protein docking Multivariate analysis Ob ReceptorCatalysisEnergy homeostasisInorganic ChemistryStructure-Activity RelationshipInternal medicinemedicineMolecular Targeted TherapyPhysical and Theoretical ChemistryReceptorVirtual screeningLeptin receptorBinding SitesMolecular StructureLeptindigestive oral and skin physiologyOrganic ChemistryHydrogen BondingSettore CHIM/08 - Chimica FarmaceuticaComputer Science ApplicationsHigh-Throughput Screening AssaysMolecular Docking SimulationEndocrinologyComputational Theory and MathematicsDocking (molecular)Drug DesignMultivariate AnalysisComputer-Aided DesignReceptors LeptinAnti-Obesity AgentsHydrophobic and Hydrophilic InteractionsProtein BindingJournal of molecular modeling
researchProduct