3D-QSAR, docking and ADMET properties of aurone analogues as antimalarial agents H Hadni, M Elhallaoui Heliyon 6 (4), 2020 | 81 | 2020 |
2D and 3D-QSAR, molecular docking and ADMET properties in silico studies of azaaurones as antimalarial agents H Hadni, M Elhallaoui New Journal of Chemistry 44 (16), 6553-6565, 2020 | 77 | 2020 |
Antioxidant, Volatile Compounds; Antimicrobial, Anti-Inflammatory, and Dermatoprotective Properties of Cedrus atlantica (Endl.) Manetti Ex Carriere Essential Oil: In … N El Hachlafi, HN Mrabti, SH Al-Mijalli, M Jeddi, EM Abdallah, ... Molecules 28 (15), 5913, 2023 | 35 | 2023 |
2D-QSAR modeling, drug-likeness studies, ADMET prediction, and molecular docking for anti-lung cancer activity of 3-substituted-5-(phenylamino) indolone derivatives M Er-rajy, M El Fadili, H Hadni, NN Mrabti, S Zarougui, M Elhallaoui Structural Chemistry 33 (3), 973-986, 2022 | 33 | 2022 |
3D-QSAR, molecular docking, DFT and ADMET studies on quinazoline derivatives to explore novel DHFR inhibitors H Hadni, M Bakhouch, M Elhallaoui Journal of Biomolecular Structure and Dynamics 41 (1), 161-175, 2023 | 30 | 2023 |
Molecular docking and QSAR studies for modeling the antimalarial activity of hybrids 4-anilinoquinoline-triazines derivatives with the wild-type and mutant receptor pf-DHFR H Hadni, M Elhallaoui Heliyon 5 (8), 2019 | 29 | 2019 |
Molecular Modeling of Antimalarial Agents by 3D‐QSAR Study and Molecular Docking of Two Hybrids 4‐Aminoquinoline‐1, 3, 5‐triazine and 4‐Aminoquinoline‐oxalamide Derivatives … H Hadni, M Mazigh, E Charif, A Bouayad, M Elhallaoui Biochemistry Research International 2018 (1), 8639173, 2018 | 28 | 2018 |
Design, synthesis, in-vitro and in-silico studies of chromone‐isoxazoline conjugates as anti‐bacterial agents Y Kanzouai, M Chalkha, H Hadni, M Laghmari, R Bouzammit, A Nakkabi, ... Journal of Molecular Structure 1293, 136205, 2023 | 22 | 2023 |
Evaluation of flavonoids as potential inhibitors of the SARS-CoV-2 main protease and spike RBD: molecular docking, ADMET evaluation and molecular dynamics simulations H Hadni, A Fitri, AT Benjelloun, M Benzakour, M Mcharfi Journal of the Indian Chemical Society 99 (10), 100697, 2022 | 22 | 2022 |
Synthesis, antimicrobial activity, molecular docking, molecular dynamics simulation, and ADMET properties of the mannopyranoside derivatives as antimicrobial agents AU Islam, H Hadni, F Ali, A Abuzreda, SMA Kawsar Journal of Taibah University for Science 18 (1), 2327101, 2024 | 16 | 2024 |
Identification of terpenoids as potential inhibitors of SARS-CoV-2 (main protease) and spike (RBD) via computer-aided drug design H Hadni, A Fitri, A Touimi Benjelloun, M Benzakour, M Mcharfi, ... Journal of Biomolecular Structure and Dynamics 42 (15), 8145-8158, 2024 | 11 | 2024 |
In silico screening of a series of 1,6-disubstituted 1H-pyrazolo[3,4-d]pyrimidines as potential selective inhibitors of the Janus kinase 3 A Faris, H Hadni, BA Saleh, H Khelfaoui, D Harkati, H Ait Ahsaine, ... Journal of Biomolecular Structure and Dynamics 42 (9), 4456-4474, 2024 | 11 | 2024 |
In silico design of EGFRL858R/T790M/C797S inhibitors via 3D-QSAR, molecular docking, ADMET properties and molecular dynamics simulations H Hadni, M Elhallaouia Heliyon 8 (11), 2022 | 11 | 2022 |
QSAR and Molecular docking studies of 4-anilinoquinoline-triazine hybrids as pf-DHFR inhibitors H Hadni, M Mazigh, M El Hallaoui Mediterranean Journal of Chemistry 8 (2), 84-93, 2019 | 10 | 2019 |
In silico discovery of potent and selective Janus kinase 3 (JAK3) inhibitors through 3D-QSAR, covalent docking, ADMET analysis, molecular dynamics simulations, and binding free … A Faris, H Hadni, IM Ibrahim, M Elhallaoui Journal of Biomolecular Structure and Dynamics 42 (9), 4817-4833, 2024 | 8 | 2024 |
In vitro antimicrobial, anticancer evaluation, and in silico studies of mannopyranoside analogs against bacterial and fungal proteins: Acylation leads to improved antimicrobial … MA Hossain, S Sultana, MM Alanazi, H Hadni, AR Bhat, I Hasan, ... Saudi Pharmaceutical Journal 32 (6), 102093, 2024 | 7 | 2024 |
Discovery of anti-colon cancer agents targeting wild-type and mutant p53 using computer-aided drug design H Hadni, M Elhallaoui Journal of Biomolecular Structure and Dynamics 41 (19), 10171-10189, 2023 | 7 | 2023 |
High-throughput virtual screening of phenylpyrimidine derivatives as selective JAK3 antagonists using computational methods A Faris, IM Ibrahim, H Hadni, M Elhallaoui Journal of Biomolecular Structure and Dynamics 42 (14), 7574-7599, 2024 | 6 | 2024 |
& Al Houari, G.(2023). Design, synthesis, invitro and in-silico studies of chromone‐isoxazoline conjugates as anti‐bacterial agents Y Kanzouai, M Chalkha, H Hadni, M Laghmari, R Bouzammit, A Nakkabi Journal of Molecular Structure 1293, 136205, 0 | 6 | |
QSAR-driven screening uncovers and designs novel pyrimidine-4, 6-diamine derivatives as potent JAK3 inhibitors A Faris, IM Ibrahim, R Alnajjar, H Hadni, MA Bhat, M Yaseen, ... Journal of Biomolecular Structure and Dynamics 43 (2), 757-786, 2025 | 5 | 2025 |