Reactivity, bioactivity, and antileishmanial activity of dihydrosyrindine and syringine: Modelling, cytotoxicity, molecular docking, molecular dynamics, and MM-GBSA analyses
Oussama Khaoua
Topics & Concepts
ChemistryCytotoxicityMolecular dynamicsEnzymeReactivity (psychology)Molecular modelStereochemistryDocking (animal)BiochemistryLigand (biochemistry)Binding affinitiesBiological activityBiophysicsStructure–activity relationshipQuantitative structure–activity relationshipPharmacokineticsAffinitiesPlasma protein bindingBinding energyChirality (physics)PharmacologyIn vitroCell cultureCircular dichroismMolecular mechanicsDelocalized electronBinding siteElectronic effectCytotoxic T cellPhenylpropanoidMolecular bindingCellSynthesis and biological activityChemical synthesis and pharmacological studiesSynthesis and Characterization of Heterocyclic Compounds