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

3-Chloro-3-methyl-2,6-diarylpiperidin-4-ones as Anti-Cancer Agents: Synthesis, Biological Evaluation, Molecular Docking, and In Silico ADMET Prediction

por Ramalingam, Arulraj, Mustafa, Nurulhuda, Chng, Wee Joo, Medimagh, Mouna, Sambandam, Sivakumar, Issaoui, Noureddine
Publicado 2022

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, 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-tetr...

por Ramalingam, Arulraj, Kuppusamy, Murugavel, Sambandam, Sivakumar, Medimagh, Mouna, Oyeneyin, Oluwatoba Emmanuel, Shanmugasundaram, Amirthaganesan, Issaoui, Noureddine, Ojo, Nathanael Damilare
Publicado 2022

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