| Synthesis, bioinformatics and biological evaluation of novel pyridine based on 8-hydroxyquinoline derivatives as antibacterial agents: DFT, molecular docking and ADME/T studies M Rbaa, A Oubihi, H Hajji, B Tüzün, A Hichar, E Berdimurodov, MA Ajana, ... Journal of Molecular Structure 1244, 130934, 2021 | 35 | 2021 |
| In silico investigation on the beneficial effects of medicinal plants on diabetes and obesity: molecular docking, molecular dynamic simulations, and ADMET studies H Hajji, K Tabti, F En-nahli, S Bouamrane, T Lakhlifi, MA Ajana, ... Biointerface Res. Appl. Chem 11 (5), 6933-6949, 2021 | 20 | 2021 |
| High-throughput virtual screening approach of natural compounds as target inhibitors of plasmepsin-II F En-Nahli, S Baammi, H Hajji, M Alaqarbeh, T Lakhlifi, M Bouachrine Journal of Biomolecular Structure and Dynamics 41 (19), 10070-10080, 2023 | 16 | 2023 |
| In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET … S Bouamrane, A Khaldan, H Hajji, R El-Mernissi, M Alaqarbeh, ... Molecular Diversity 27 (5), 2111-2132, 2023 | 15 | 2023 |
| 3D-QSAR, molecular docking, molecular dynamic simulation, and ADMET study of bioactive compounds against candida albicans S Bouamrane, A Khaldan, H Hajji, R El-Mernissi, H Maghat, MA Ajana, ... Moroccan Journal of Chemistry 10 (3), 10-3 (2022) 523-541, 2022 | 15 | 2022 |
| Computational study of quinoline-based thiadiazole compounds as potential antileishmanial inhibitors A Khaldan, S Bouamrane, R El-mernissi, M Alaqarbeh, H Hajji, ... New Journal of Chemistry 46 (36), 17554-17576, 2022 | 13 | 2022 |
| Antiproliferative Activity: Discovery of new Benzoxanthenes derivatives by Using Various Statistical Methods 2D/3D-QSAR and Molecular Docking H HAJJI RHAZES: Green and Applied Chemistry 12, 40-59, 2021 | 13 | 2021 |
| Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation … H Hajji, M Alaqarbeh, T Lakhlifi, MA Ajana, N Alsakhen, M Bouachrine Computers in biology and medicine 150, 106209, 2022 | 11 | 2022 |
| Rational design of novel potential EGFR inhibitors by 3D-QSAR, molecular docking, molecular dynamics simulation, and pharmacokinetics studies K El Khatabi, R El-mernissi, Y Moukhliss, H Hajji, HM Rehman, R Yadav, ... Chemical Data Collections 39, 100851, 2022 | 11 | 2022 |
| Structure-odor relationship in pyrazines and derivatives: A physicochemical study using 3D-QSPR, HQSPR, Monte Carlo, molecular docking, ADME-Tox and molecular dynamics M OUABANE, K TABTI, H HAJJI, M ELBOUHI, A KHALDAN, K ELKAMEL, ... Arabian Journal of Chemistry 16 (11), 105207, 2023 | 10 | 2023 |
| Catastrophic Collision Between Obesity and COVID-19 Have Evoked the Computational Chemistry for Research in Silico Design of New CaMKKII Inhibitors Against Obesity by Using 3D … H Hajji, F En-nahli, I Aanouz, H Zaki, T Lakhlifi, MA Ajana, M Bouachrine Orbital: The Electronic Journal of Chemistry, 316-327, 2021 | 9 | 2021 |
| ADMET Profiling and Molecular Docking of Pyrazole and Pyrazolines Derivatives as Antimicrobial Agents. Arab F En-Nahli, H Hajji, M Ouabane, M Aziz Ajana, C Sekatte, T Lakhlifi, ... J. Chem 16 (105262), 10.1016, 2023 | 8 | 2023 |
| A computational study of Di-substituted 1, 2, 3-triazole derivatives as potential drug candidates against Mycobacterium tuberculosis: 3D-QSAR, molecular docking, molecular … Y Koubi, Y Moukhliss, H Hajji, M Alaqarbeh, MA Ajana, H Maghat, ... New Journal of Chemistry 47 (25), 11832-11841, 2023 | 8 | 2023 |
| In-silico molecular modeling studies to identify novel potential inhibitors of HPV E6 protein M Soumia, H Hajji, M El Mzibri, FZ Younes, B Mohammed, B Mohamed, ... Vaccines 10 (9), 1452, 2022 | 8 | 2022 |
| 2D-QSPR of the retention/release property for odorant molecules in pectin gels of different concentration M Ouabane, H Hajji, A Belhassan, Y Koubi, M Elbouhi, H Badaoui, ... RHAZES: Green and Applied Chemistry 14, 15-35, 2022 | 8 | 2022 |
| Identification of a potential thiazole inhibitor against biofilms by 3D QSAR, molecular docking, DFT analysis, MM-PBSA binding energy calculations, and molecular dynamics … K Tabti, H Hajji, A Sbai, H Maghat, M Bouachrine, T Lakhlifi Physical Chemistry Research 11 (2), 369-389, 2023 | 7 | 2023 |
| Modeling and statistical study of series of derivatives 5-(1H-Indol-5-yl)-1, 3, 4-Thiadiazol-2-amines as potent inhibitors of PIM-1 kinase H Hajji RHAZES: Green and Applied Chemistry 10, 88-102, 2020 | 7 | 2020 |
| in silico studies of 1, 4-disubstituted 1, 2, 3-triazole with amide functionality antimicrobial evaluation against Escherichia coli using 3D-QSAR, molecular docking, and ADMET … Y Koubi, H Hajji, Y Moukhliss, K El Khatabi, Y El Masaoudy Moroccan Journal of Chemistry 10 (4), 10-4 (2020) 689-702, 2022 | 6 | 2022 |
| Study of dipolar 1.3 cycloaddition reaction by DFT method, as well as a study of antibacterial activity of two isomers 1.4 and 1.5 on two therapeutic targets E. coli and … O Abdessadak, H Hajji, Y Koubi, T Lakhlifi, MA Ajana, M Bouachrine doi: org/10.33435/tcandtc 1020278, 2020 | 6 | 2020 |
| 2D-QSAR analysis on compounds (N-phenylpyrolidin-2-ones and N-phenyl-1H-pyrrol-2-ones) whose inhibitory activity of PPO (protoporphyrinogen oxidase) O ABDESSADAK RHAZES: Green and Applied Chemistry 9, 92-101, 2020 | 5 | 2020 |
