Mouna Medimagh

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 et al. · Journal of King Saud University - Science · 2021 · 140 citations · Full text

Quantum Chemical Studies, Engineering, Organic Chemistry +16

Study of a new piperidone as an anti-Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method

Arulraj Ramalingam, Sivakumar Sambandam, Mouna Medimagh et al. · Journal of King Saud University - Science · 2021 · 112 citations · Full text

Computational Chemistry, Chemistry, Spectra-structure Correlation +18

DFT and molecular docking study of the effect of a green solvent (water and DMSO) on the structure, MEP, and FMOs of the 1-ethylpiperazine-1,4-diium bis(hydrogenoxalate) compound

Mouna Medimagh, Cherifa Ben Mleh, Noureddine Issaoui et al. · Journal of Molecular Liquids · 2022 · 102 citations · Full text

Engineering, Biochemistry, Natural Sciences +8

Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

Arulraj Ramalingam, K. Murugavel, Sivakumar Sambandam et al. · Heliyon · 2022 · 87 citations · Full text

Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study

Mouna Medimagh, Noureddine Issaoui, Sofian Gatfaoui et al. · Heliyon · 2021 · 82 citations · Full text