Computational Theory and Mathematics, Chemical Engineering, Chemistry, Analytical Chemistry
1269
Scholar Citations
23
Scholar h-index
37
Scholar i10-index
RECENT SCHOLAR PUBLICATIONS
Multimodal computational approaches coupled with experimental assays to identify flavonoids as potent inhibitors of diabetes and AGEs MS Adnan, H Ali, N Ullah, ME Fadili, S Chaman, A Amin Journal of Computer-Aided Molecular Design 40 (1), 51 , 2026 2026
Synthesis, Structural Characterization and In Vitro Thymidine Phosphorylase Inhibitory Activity of Bis-Schiff base Derivatives of Thiocarbohydrazide: Experimental and … M Ismail, M Ayaz, I Ahmad, A Sharif, A Alam, W Ahmad, M Usman, ... Journal of Molecular Structure, 146598 , 2026 2026
Integrated experimental, computational, and density functional theory analysis of m-nitrophenol adsorption and supercritical CO₂-assisted regeneration on β-cyclodextrin … U Salgın, S Salgın, T Yalçın, YE Salgın, A Ez-zoubi, N Soyer Separation and Purification Technology, 138516 , 2026 2026
Synthesis, Single-Crystal X-ray Elucidation and Integrated Theoretical Investigation of a Novel Chromone Derivative: Insights into Antibacterial Activity and Corrosion Inhibition R Bouzammit, AO Alaoui, M Er-rajy, M El Fadili, F El-Hajjaji, M Chalkha, ... Journal of Molecular Structure, 146309 , 2026 2026
Crystal Structure and Antioxidant Properties of 3′, 4-dimethyl-3-phenyl-gragr3′, 4′-dihydro-1′ H, 4H-spiro [isoxazole-5, 2′-naphthalene]-1′-one: A Study Combining … R Bouzammit, M Takie, M El Fadili, S Hidaoui, Y Kanzouai, M Chalkha, ... Journal of Molecular Structure, 146034 , 2026 2026 Citations: 1
Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer’s disease M El Fadili, M Er-Rajy, S Mujwar, A Samadi, S Chtita, M Elhallaoui PLoS One 21 (3), e0343723 , 2026 2026
Benthic and demersal assemblages on the Moroccan Mediterranean trawlable grounds D Slimani, S Abdellaoui, N Kaddouri, K Kasmi, R Mouedden, I Ouebdil, ... Hydrobiologia 853 (5), 1617-1638 , 2026 2026
Optimizing Antibacterial Essential Oil Blends from Helichrysum plicatum , Petroselinum crispum , and Origanum vulgare for Dairy Preservation: Mixture Design and … J Živković, J Petrović, M El Fadili, D Pljevljakušić, S Lebrazi, D Stojković, ... Foods 15 (4), 675 , 2026 2026
Design and evaluation of novel N-Aryl oxamic acid derivatives as potential anti-tubercular inhibitors: A comprehensive molecular modeling study TA Nyijime, GA Shallangwa, A Uzairu, AB Umar, MT Ibrahim, S Mujwar Letters in Drug Design & Discovery, 100234 , 2026 2026
Design and Evaluation of Potential Anti-Liver Cancer Agents: QSAR, DFT, Docking, Molecular Dynamics and Pharmacokinetic Profiling SY Ismail, B Usman, S Mujwar, TA Mikail, M Muhammad, ZN Lambu, ... In Silico Research in Biomedicine, 100131 , 2025 2025 Citations: 1
In Vivo and In Silico Evaluation of a Polyphenol Fraction Extracted From Argania spinosa L. Press‐Cake Against Ethylene Glycol‐Induced Calcium Oxalate … FE El Oumari, A Hmamou, A Elrherabi, N Mammate, M El Fadili, ... Food Science & Nutrition 13 (11), e71238 , 2025 2025 Citations: 2
Synthesis, crystal structure, DFT calculations, in-vitro and in-silico studies of novel chromone-isoxazoline conjugates as antibacterial and anti-inflammatory agents R Bouzammit, N El Hachlafi, M El Fadili, M El Khabchi, Y Kanzouai, ... Scientific Reports 15 (1), 31103 , 2025 2025 Citations: 7
In silico design of novel dihydropteridone derivatives with oxadiazoles as potent inhibitors of MCF-7 breast cancer cells M Aloui, M El fadili, M Er-rajy, S Mujwar, S Er-rahmani, M Elhallaoui Frontiers in Chemistry 13, 1590593 , 2025 2025 Citations: 1
Chemical Composition of the Phenolic Profile and Evaluation of Antimicrobial and Cytotoxic Activities of Moroccan Pomegranate (Punica granatum) Peel Extract F KANDSI, K EL BIRGUI, M EL FADILI, M AL-ZHARANI, C SABIRI, ... 2025 Citations: 1
LC-MS/MS profiling and toxicological evaluation of Argania spinosa extract: Acute and subacute studies in Swiss Albino mice with in vivo and in silico approaches FZ Lafdil, G Nouioura, MEL Fadili, H Lafdil, H Mekhfi, R Conte, ... Journal of Ethnopharmacology 350, 120009 , 2025 2025 Citations: 2
In silico design of novel pyridazine derivatives as balanced multifunctional agents against Alzheimer’s disease M Aloui, M El Fadili, S Mujwar, M Er-Rajy, HA Abuelizz, S Er-Rahmani, ... Scientific Reports 15 (1), 15910 , 2025 2025 Citations: 5
Investigating the synergistic action of three essential oils for antibacterial and antioxidant applications: A comprehensive framework using mixture design, artificial neural … S Lebrazi, Fikri-Benbrahim, M El fadili, Kawtar, M Jeddi, A Aboulghazi, ... Food Bioscience 67, 106250 , 2025 2025 Citations: 12
Synthesis of Carbonate Beta-Cyclodextrin Nanosponges Utilizing Choline Chloride-ZnCl2 Deep Eutectic Solvent A Ez-zoubi, M El fadili, M Fadil, A Alami, A Farah Journal of the Indian Chemical Society, 101722 , 2025 2025 Citations: 3
Design and evaluation of novel triazole derivatives as potential anti-gout inhibitors: a comprehensive molecular modeling study M Er-Rajy, M El Fadili, S Zarougui, S Mujwar, M Aloui, M Zerrouk, ... Frontiers in Chemistry 13, 1518777 , 2025 2025 Citations: 20
Beta‐Cyclodextrin inclusion complexes with phenolic synthetic antioxidants: synthesis, spectroscopic characterisation, molecular modeling, and activity efficiency A Ez‐zoubi, N Boutahiri, M El Fadili, R Sghyar, S Mujwar, W Moustaid, ... ChemistrySelect 10 (10), e202405310 , 2025 2025 Citations: 9
MOST CITED SCHOLAR PUBLICATIONS
QSAR, ADMET In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Studies of Novel Bicyclo (Aryl Methyl) Benzamides as Potent GlyT1 Inhibitors for the Treatment … M El fadili, M Er-Rajy, M Kara, A Assouguem, A Belhassan, A Alotaibi, ... Pharmaceuticals 15 (6), 670 , 2022 2022 Citations: 71
Antimicrobial, antioxidant, α-amylase and α-glucosidase inhibitory activities of a chemically characterized essential oil from Lavandula angustifolia Mill.: in vitro and in … M Jeddi, N El Hachlafi, M El Fadili, N Benkhaira, SH Al-Mijalli, F Kandsi, ... Biochemical Systematics and Ecology 111, 104731 , 2023 2023 Citations: 66
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 2022 Citations: 60
Design of novel anti-cancer drugs targeting TRKs inhibitors based 3D QSAR, molecular docking and molecular dynamics simulation M Er-Rajy, M El Fadili, S Mujwar, S Zarougui, M Elhallaoui Journal of Biomolecular Structure and Dynamics 41 (21), 11657-11670 , 2023 2023 Citations: 58
Contribution to the evaluation of physicochemical properties, total phenolic content, antioxidant potential, and antimicrobial activity of vinegar commercialized in Morocco M Kara, A Assouguem, ME Fadili, S Benmessaoud, SZ Alshawwa, ... Molecules 27 (3), 770 , 2022 2022 Citations: 57
Comprehensive analysis of different solvent extracts of Ferula communis L. fruit reveals phenolic compounds and their biological properties via in vitro and in silico … G Nouioura, M El Fadili, A El Barnossi, EH Loukili, H Laaroussi, ... Scientific Reports 14 (1), 8325 , 2024 2024 Citations: 51
QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme M Er-rajy, ME Fadili, S Mujwar, FZ Lenda, S Zarougui, M Elhallaoui Structural Chemistry 34 (4), 1527-1543 , 2023 2023 Citations: 48
3D-QSAR, ADME-tox in silico prediction and molecular docking studies for modeling the analgesic activity against neuropathic pain of novel NR2B-selective NMDA receptor antagonists M El Fadili, M Er-rajy, H Imtara, M Kara, S Zarougui, N Altwaijry, ... Processes 10 (8), 1462 , 2022 2022 Citations: 45
Design of novel anti-cancer agents targeting COX-2 inhibitors based on computational studies M Er-rajy, M El fadili, S Mujwar, H Imtara, SZ Alshawwa, FA Nasr, ... Arabian Journal of Chemistry 16 (10), 105193 , 2023 2023 Citations: 43
Petroselinum crispum L., essential oil as promising source of bioactive compounds, antioxidant, antimicrobial activities: In vitro and in silico predictions G Nouioura, M El fadili, N El Hachlafi, HA Abuelizz, AE Elidrissi, ... Heliyon 10 (8) , 2024 2024 Citations: 42
Unveiling the phytochemical profile, in vitro bioactivities evaluation, in silico molecular docking and ADMET study of essential oil from Clinopodium nepeta grown in Middle … N Benkhaira, N El Hachlafi, M El fadili, M Jeddi, R Abdnim, M Bnouham, ... Biocatalysis and Agricultural Biotechnology 54, 102923 , 2023 2023 Citations: 40
Phytochemical, Antioxidant Activity, and Toxicity of Wild Medicinal Plant of Melitotus albus Extracts, In Vitro and In Silico Approaches I Ed-Dahmani, M El Fadili, F Kandsi, R Conte, Y El Atki, M Kara, ... ACS omega 9 (8), 9236-9246 , 2024 2024 Citations: 38
QSAR, ADME-Tox, molecular docking and molecular dynamics simulations of novel selective glycine transporter type 1 inhibitors with memory enhancing properties ME fadili, M Er-rajy, H Imtara, OM Noman, RA Mothana, S Abdullah, ... Heliyon , 2023 2023 Citations: 37
Coriandrum sativum L., essential oil as a promising source of bioactive compounds with GC/MS, antioxidant, antimicrobial activities : in vitro and in silico predictions G Nouioura, M El Fadili, N El Hachlafi, S Maache, I Mssillou, H A. Abuelizz, ... Frontiers in chemistry 12, 1369745 , 2024 2024 Citations: 35
An in-silico investigation based on molecular simulations of novel and potential brain-penetrant GluN2B NMDA receptor antagonists as anti-stroke therapeutic agents M El Fadili, M Er-Rajy, W Ali Eltayb, M Kara, H Imtara, S Zarougui, ... Journal of Biomolecular Structure and Dynamics 42 (12), 6174-6188 , 2024 2024 Citations: 30
Exploring the essence of celery seeds (Apium graveolens L.): Innovations in microwave-assisted hydrodistillation for essential oil extraction using in vitro, in vivo and in … G Nouioura, M El fadili, HK Ghneim, L Zbadi, S Maache, O Zouirech, ... Arabian Journal of Chemistry 17 (5), 105726 , 2024 2024 Citations: 30
3D-QSAR studies, molecular docking, molecular dynamic simulation, and ADMET proprieties of novel pteridinone derivatives as PLK1 inhibitors for the treatment of prostate cancer M Er-Rajy, M El Fadili, H Imtara, A Saeed, A Ur Rehman, S Zarougui, ... Life 13 (1), 127 , 2023 2023 Citations: 28
Design of potential anti-cancer agents as COX-2 inhibitors, using 3D-QSAR modeling, molecular docking, oral bioavailability proprieties, and molecular dynamics simulation M Er-Rajy, M El fadili, A Faris, S Zarougui, M Elhallaoui Anti-Cancer Drugs 35 (2), 117-128 , 2024 2024 Citations: 26
GC/MS Profiling, In Vitro Antidiabetic Efficacy of Origanum compactum Benth. Essential Oil and In Silico Molecular Docking of Its Major Bioactive Compounds H Assaggaf, N El Hachlafi, M El Fadili, A Elbouzidi, H Ouassou, M Jeddi, ... Catalysts 13 (11), 1429 , 2023 2023 Citations: 26
QSAR, molecular docking, ADMET properties in silico studies for a series of 7-propanamide benzoxaboroles as potent anti-cancer agents ERR Mohammed, M EL FADILI, NN Mrabti, S Zarougui, M Elhallaoui Chinese Journal of Analytical Chemistry 50 (12), 100163 , 2022 2022 Citations: 26
