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

por Noureddine, Olfa, Issaoui, Noureddine, Al-Dossary, Omar
Publicado 2021

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...

por Noureddine, Olfa, Issaoui, Noureddine, Medimagh, Mouna, Al-Dossary, Omar, Marouani, Houda
Publicado 2021

Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri

por Akman, Feride, Demirpolat, Azize, Kazachenko, Aleksandr S., Kazachenko, Anna S., Issaoui, Noureddine, Al-Dossary, Omar
Publicado 2023

Synthesis, characterization and identification of inhibitory activity on the main protease of COVID-19 by molecular docking strategy of (4-oxo-piperidinium ethylene acetal) trioxon...

por Gatfaoui, Sofian, Issaoui, Noureddine, Kazachenko, Aleksandr S., Al-Dossary, Omar M., Roisnel, Thierry, Marouani, Houda
Publicado 2023

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

por Medimagh, Mouna, Issaoui, Noureddine, Gatfaoui, Sofian, Antonia Brandán, Silvia, Al-Dossary, Omar, Marouani, Houda, J. Wojcik, Marek
Publicado 2021

Synthesis, Empirical and Theoretical Investigations on New Histaminium Bis(Trioxonitrate) Compound

por Jmai, Mahdi, Gatfaoui, Sofian, Issaoui, Noureddine, Roisnel, Thierry, Kazachenko, Aleksandr S., Al-Dossary, Omar, Marouani, Houda, Kazachenko, Anna S.
Publicado 2023

A Comprehensive Study of N-Butyl-1H-Benzimidazole

por Kazachenko, Aleksandr S., Tanış, Emine, Akman, Feride, Medimagh, Mouna, Issaoui, Noureddine, Al-Dossary, Omar, Bousiakou, Leda G., Kazachenko, Anna S., Zimonin, Dmitry, Skripnikov, Andrey M.
Publicado 2022

Sulfation of Diethylaminoethyl-Cellulose: QTAIM Topological Analysis and Experimental and DFT Studies of the Properties

por Kazachenko, Aleksandr, Akman, Feride, Medimagh, Mouna, Issaoui, Noureddine, Vasilieva, Natalya, Malyar, Yuriy N., Sudakova, Irina G., Karacharov, Anton, Miroshnikova, Angelina, Al-Dossary, Omar Marzook
Publicado 2021

Comprehensive Study of the Ammonium Sulfamate–Urea Binary System

por Kazachenko, Aleksandr S., Issaoui, Noureddine, Fetisova, Olga Yu., Berezhnaya, Yaroslava D., Al-Dossary, Omar M., Akman, Feride, Kumar, Naveen, Bousiakou, Leda G., Kazachenko, Anna S., Ionin, Vladislav A., Elsuf’ev, Evgeniy V., Miroshnikova, Angelina V.
Publicado 2023

Catalytic Sulfation of Betulin with Sulfamic Acid: Experiment and DFT Calculation

por Kazachenko, Aleksandr S., Akman, Feride, Vasilieva, Natalya Yu., Issaoui, Noureddine, Malyar, Yuriy N., Kondrasenko, Aleksandr A., Borovkova, Valentina S., Miroshnikova, Angelina V., Kazachenko, Anna S., Al-Dossary, Omar, Wojcik, Marek J., Berezhnaya, Yaroslava D., Elsuf’ev, Evgeniy V.
Publicado 2022