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

by Olfa Noureddine, Noureddine Issaoui, Omar Al-Dossary
Published 2021-01-01

Theoretical model of infrared spectra of hydrogen bonds in molecular crystals of 2-thiopheneacetic acid: Fermi resonance and Davdov coupling effects.

by Noureddine Issaoui, Hafedh Abdelmoulahi, Henryk T. Flakus, Houcine Ghalla, Brahim Oujia
Published 2016-12-01

Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking

by Abir Sagaama, Silvia Antonia Brandan, Takoua Ben Issa, Noureddine Issaoui
Published 2020-08-01

Combined statistical physics models and DFT theory to study the adsorption process of paprika dye On TiO2 for dye sensitized solar cells

by Marwa Ben Manaa, Noureddine Issaoui, Nadia Bouaziz, Abdelmottaleb Ben Lamine
Published 2020-03-01

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

by Olfa Noureddine, Noureddine Issaoui, Sofian Gatfaoui, Omar Al-Dossary, Houda Marouani
Published 2021-03-01

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 calcula...

by Olfa Noureddine, Noureddine Issaoui, Mouna Medimagh, Omar Al-Dossary, Houda Marouani
Published 2021-03-01

Non covalent interactions and molecular docking studies on morphine compound

by Abir Sagaama, Noureddine Issaoui, Omar Al-Dossary, Aleksandr S. Kazachenko, Marek.J. Wojcik
Published 2021-12-01

Molecular modeling and biological activity analysis of new organic-inorganic hybrid: 2-(3,4-dihydroxyphenyl) ethanaminium nitrate

by Mouna Medimagh, Noureddine Issaoui, Sofian Gatfaoui, Omar Al-Dossary, Aleksandr S. Kazachenko, Houda Marouani, Marek.J. Wojcik
Published 2021-12-01

Modification of Arabinogalactan Isolated from <i>Larix sibirica Ledeb.</i> into Sulfated Derivatives with the Controlled Molecular Weights

by Yuriy N. Malyar, Natalia Yu. Vasilyeva, Aleksandr S. Kazachenko, Valentina S. Borovkova, Andrei M. Skripnikov, Angelina V. Miroshnikova, Dmitriy V. Zimonin, Vladislav A. Ionin, Anna S. Kazachenko, Noureddine Issaoui
Published 2021-09-01