Multi-spectroscopic, molecular docking and molecular dynamic simulation evaluation of hydroxychloroquine sulfate interaction with caseins and whey proteins
Hailin Wang, Lijing Ke, Jianwu Zhou, Guoqiang Li, Tianhao Xu, Pingfan Rao
Topics & Concepts
ChemistryMolecular dynamicsHydrophobic effectFourier transform infrared spectroscopyHydrogen bondCircular dichroismDocking (animal)HydroxychloroquineCrystallographyProtein secondary structureQuenching (fluorescence)MoleculeFluorescenceComputational chemistryOrganic chemistryBiochemistryChemical engineeringPathologyDiseasePhysicsInfectious disease (medical specialty)NursingMedicineQuantum mechanicsCoronavirus disease 2019 (COVID-19)EngineeringProtein Interaction Studies and Fluorescence AnalysisSurfactants and Colloidal SystemsDrug Transport and Resistance Mechanisms