Rational modulation of N and O binding in Fe(III) complex formation derived from hydroxychloroquine: Synthesis, spectroscopic, computational, and docking simulation with human thrombin plasma
Doaa S. El‐Sayed, Hemmat A. Elbadawy, Tarek E. Khalil
Topics & Concepts
ChemistryMolecular dynamicsLigand (biochemistry)HydroxychloroquineDocking (animal)Ionization energyCrystallographyComputational chemistryStereochemistryIonizationIonOrganic chemistryReceptorBiochemistryNursingMedicineDiseaseInfectious disease (medical specialty)Coronavirus disease 2019 (COVID-19)PathologyMetal complexes synthesis and propertiesProtein Interaction Studies and Fluorescence AnalysisComputational Drug Discovery Methods