Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: Molecular docking and DFT calculations

Olfa Noureddine, Noureddine Issaoui, Mouna Medimagh, +2

Journal of King Saud University - Science

Quantum Chemical StudiesEngineeringOrganic ChemistryComputational ChemistryChemistry +14

Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate

Olfa Noureddine, Sofian Gatfaoui, Silvia Antonia Brandán, +3

Journal of Molecular Structure

BiochemistryNatural Sciences4-Phenylpiperazine-1-ium Dihydrogen PhosphateChemistryMolecular Docking +2

DFT and molecular docking study of chloroquine derivatives as antiviral to coronavirus COVID-19

Olfa Noureddine, Noureddine Issaoui, Omar M. Al-Dossary

Journal of King Saud University - Science

Chloroquine DerivativesEngineeringComputational ChemistryChemistryElectronic Properties +17

Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities

Abir Sagaama, Olfa Noureddine, Silvia Antonia Brandán, +4

Computational Biology and Chemistry

Combinatorial ChemistryMolecular Docking StudiesMedicinal ChemistryDerivative (Chemistry)Biochemistry +7

Structural, docking and spectroscopic studies of a new piperazine derivative, 1-Phenylpiperazine-1,4-diium bis(hydrogen sulfate)

Olfa Noureddine, Sofian Gatfaoui, Silvia Antonia Brandán, +2

Journal of Molecular Structure

Derivative (Chemistry)Hydrogen SulfateBiochemistryNatural Sciences1-Phenylpiperazine-1,4-diium Bis +4

Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative

Olfa Noureddine, Noureddine Issaoui, Sofian Gatfaoui, +2

Journal of King Saud University - Science

Crystal StructureComputational ChemistryChemistryHeterocycle ChemistryChemical Derivative +14

Properties and Reactivities of Niclosamide in Different Media, a Potential Antiviral to Treatment of COVID-19 by Using DFT Calculations and Molecular Docking

Davide Romani, Olfa Noureddine, Noureddine Issaoui

Biointerface Research in Applied Chemistry

Molecular DockingMedicinal ChemistryGas PhaseMedicineNatural Sciences +11

Experimental, computational, and in silico analysis of (C8H14N2)2[CdCl6] compound

Ikram Jomaa, Olfa Noureddine, Sofian Gatfaoui, +3

Journal of Molecular Structure

Silico AnalysisStructure ElucidationMain Group ChemistryComputational ChemistryChemistry

New DMAP meso-arylporphyrin Magnesium(II) complex. Spectroscopic, Cyclic voltammetry and X-ray molecular structure characterization. DFT, DOS and MEP calculations and Antioxidant and Antifungal activities

Taissir Fradi, Olfa Noureddine, Fadia Ben Taheur, +8

Journal of Molecular Structure

Inorganic ChemistryEngineeringBiochemistryMep CalculationsNatural Sciences +8

Advanced investigation of a putative adsorption process of nine non key food odorants (non-KFOs) on the broadly tuned human olfactory receptor OR2W1: Statistical physics modeling and molecular docking study

Ismahene Ben Khemis, Olfa Noureddine, Houda Smati, +3

International Journal of Biological Macromolecules

Chemical EngineeringEngineeringBiochemistryNatural SciencesAdvanced Investigation +8