Pharmacological Valorization of Saffron Stigmas (Crocus sativus L.): Green Ultrasonic Processing and Molecular Docking Analysis of Antioxidant Bioactives Abdessamad Benlabchir, Mouhcine Fadil, Kawtar Fikri-Benbrahim, Hamza Assila, Otman El-Guourrami, et al. Tropical Journal of Natural Product Research, 2026 Saffron (Crocus sativus L.) is a valuable source of bioactive molecules renowned for their health benefits. However, efficient extraction of phenolic compounds using conventional techniques remains challenging. This study aimed to optimize ultrasound-assisted extraction (UAE) conditions for saffron stigmas using a Box–Behnken design. UAE parameters were optimized to maximize total phenolic content (TPC), total flavonoid content (TFC), and antioxidant activity [Ferric reducing antioxidant power (FRAP)] under different conditions. Three parameters were investigated: extraction time, solvent-to-material ratio, and solvent (ethanol/water) concentration. TPC, TFC, and FRAP were determined using standard spectrophotometric methods. In addition, in silico pharmacokinetic properties of selected bioactive compounds from saffron were analysed using the ADMELab platform. Molecular docking of the selected compounds was performed against two antioxidant-related targets: human tyrosinase (PDB ID: 5M8O) and human peroxiredoxin 5 (PRDX5) (PDB ID: 1H2D) using Aotodock toolkit. The best extraction conditions were identified as 15 min, 30 mL/g, 80% ethanol for TPC (32.15 mg GAE/g DW) and TFC (93.55 mg QE/g DW), and 45 min, 30 mL/g, 80% ethanol for antioxidant activity (EC₅₀ = 0.37 mg/mL), with desirability values > 99.9%. Regression models demonstrated high predictive reliability (R² = 0.96-0.97), confirming the higher efficiency of UAE compared with maceration and decoction. Furthermore, in silico studies revealed favourable pharmacokinetic properties for crocetin, picrocrocine, crocin-4, and safranal, and molecular docking highlighted a strong binding affinity of crocin-1 with antioxidant-related targets. Overall, UAE proved to be a robust and predictive strategy for optimizing saffron phenolic extraction, reinforcing its antioxidant and bioactive potential.
Novel Pyridazinone-1,3,4-oxadiazole Hybrids as Antioxidant and Antidiabetic Agents: Synthesis, Biological Evaluation, ADMET, and Molecular Docking Studies Younes Zaoui, Salma Mortada, Hamza Assila, Abdellah Messoussi, Walid Guerrab, et al. Chemistryselect, 2025 Pyridazin‐3(2H)‐one and 1,3,4‐oxadiazole have emerged as promising lead candidates for inhibiting glucose‐metabolizing enzymes, such as α‐glucosidase and α‐amylase. Furthermore, several investigations have demonstrated their strong antioxidant activities. In the present work, we report the synthesis of novel molecules hybridizing a pyridazin‐3(2H)‐one ring and a 1,3,4‐oxadiazole ring. The compounds were screened for their antioxidant activity. In DPPH and ABTS assays, compound O7 exhibited the most potent antioxidant activity, with IC 50 values of 21.32 ± 0.30 µmol/mL and 11.52 ± 0.10 µM, respectively, higher than that of sodium ascorbate. In the FRAP assay, compounds O3 (70.51 ± 3.12 µM) and O7 (61.53 ± 0.67 µM) showed superior iron‐reducing activity. As regards their antidiabetic activity, compounds O3 and O7 showed potent α‐amylase inhibitory activity with IC 50 values of 99.93 ± 1.71 µM and 93.12 ± 3.10 µM, respectively. Compound O3 also possessed the highest α‐glucosidase Inhibition activity, with an IC 50 of 22.06 ± 0.24 µM, far higher than acarbose. The molecular docking study also supported that the O3 compound shows maximum binding interaction on α‐amylase and α∖glucosidase. The binding of O3 to these enzymes is through various hydrophobic and hydrogen bonds, responsible for its good stability and justifying its strong inhibitory action.
GC–MS Characterization and Bioactivity Study of Eucalyptus globulus Labill. (Myrtaceae) Essential Oils and Their Fractions: Antibacterial and Antioxidant Properties and Molecular Docking Modeling Abdessamad Ait benlabchir, Kawtar Fikri-Benbrahim, Amina Moutawalli, Mohammed M. Alanazi, Asma Halmoune, et al. Pharmaceuticals, 2024 Background/Objectives: Eucalyptus globulus is a medicinal plant extensively used by the Moroccan population for treating a range of illnesses, especially respiratory conditions. Methods: This study aimed to assess the antioxidant and antibacterial properties of E. globulus essential oil and its individual fractions (F1, F2, and F3). Antioxidant activity was evaluated through iron-reducing power, 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), and 2,2-diphenyl-1-picrylhydrazyl (DPPH) assays. Antibacterial activity was tested using disk diffusion and dilution methods, supported by molecular docking studies. Furthermore, GC–MS analysis was conducted on the essential oil and its individual fractions. Results: GC–MS analysis identified the major compounds in the essential oil and its fractions as eucalyptol (62.32–42.60%), globulol (5.9–26.24%), o-cymene (6.89–24.35%), cryptone (7.10–15.95%), terpinen-4-ol (2.43–15.24%), and α-pinene (2.46–7.89%). Fraction F3 displayed the highest antioxidant activity in DPPH (IC50 = 3.329 ± 0.054 mg/mL) and ABTS assays (IC50 = 3.721 ± 0.027 mg/mL), while fraction F2 was most effective in the FRAP assay (IC50 = 1.054 ± 0.008 mg/mL). The essential oil and its fractions also showed antibacterial activity against Staphylococcus aureus, Staphylococcus epidermidis, Klebsiella pneumoniae, Enterobacter cloacae, Escherichia coli, and Acinetobacter baumannii. Molecular docking further corroborated these findings, supporting both antioxidant and antibacterial activities. Conclusions: The present findings demonstrate the antioxidant and antimicrobial properties of Eucalyptus globulus essential oil and its fractions, underscoring the need for further research to confirm their medicinal potential and explore pharmaceutical applications.
Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl}-N-phenylacetamide Hamza Assila, Younes Zaoui, Camille Kalonji Mubengayi, Walid Guerrab, Abdulsalam Alsubari, et al. Acta Crystallographica Section E Crystallographic Communications, 2024 In the title molecule, C20H18ClN3O2, the 2-chlorophenyl group is disordered to a small extent [occupancies 0.875 (2)/0.125 (2)]. The phenylacetamide moiety is nearly planar due to a weak, intramolecular C—H...O hydrogen bond. In the crystal, N—H...O hydrogen bonds and π-stacking interactions between pyridazine and phenyl rings form helical chains of molecules in the b-axis direction, which are linked by C—H...O hydrogen bonds and C—H...π(ring) interactions. A Hirshfeld surface analysis was performed, which showed that H...H, C...H/H...C and O...H/H...O interactions to dominate the intermolecular contacts in the crystal.
Synthesis and Characterization of Two Pyridazine N-Aryl Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HCl: Electrochemical, Surface Characterization and … H Assila, M Rehioui, H El Hadki, IA El Hassani, Y Zaoui, F Lazrak, ... Hybrid Advances, 100638 , 2026 2026.0 Citations: 1
Pharmacological Valorization of Saffron Stigmas (Crocus sativus L.): Green Ultrasonic Processing and Molecular Docking Analysis of Antioxidant Bioactives. AA Benlabchir, M Fadil, K Fikri-Benbrahim, H Assila, O El-Guourrami, ... Tropical Journal of Natural Product Research 10 (2), 7169 , 2026 2026.0
Novel hydrazone-derived pyrazole-benzofuran compounds inhibit cancer cell growth by targeting MMPs, caspases, and PI3K/AKT/mTOR signaling pathway IA El Hassani, A Altay, E Yeniçeri, Y Boukharsa, H Assila, AYA Alzahrani, ... Bioorganic Chemistry, 109568 , 2026 2026.0 Citations: 1
Tropical Journal of Natural Product Research A Ait Benlabchir, M Fadil, K Fikri-Benbrahim, H Assila, O El-Guourrami, ... Extraction 1, 0 , 2026 2026.0
Novel Pyridazinone‐1, 3, 4‐oxadiazole Hybrids as Antioxidant and Antidiabetic Agents: Synthesis, Biological Evaluation, ADMET, and Molecular Docking Studies Y Zaoui, S Mortada, H Assila, A Messoussi, W Guerrab, ... ChemistrySelect 10 (41), e02946 , 2025 2025.0
Novel hybrid pyridazinone-arylacetamide: Synthesis, crystal structure, toxicity, antidiabetic activity, oral starch tolerance test (OSTT), absorption distribution metabolism … H Assila, S Mortada, W Guerrab, IA El Hassani, Y Zaoui, J Mague, ... Journal of Molecular Structure, 144480 , 2025 2025.0 Citations: 3
(E)-N'-(4-methoxybenzylidene)-2-((5-phenyl-1H-pyrazol-3-yl) oxy) acetohydrazide as potential antidiabetic agent: Synthesis, X-ray, Hirshfeld surface, biological evaluation and … IA El Hassani, CH Lai, S Mortada, A Ramalingam, H Assila, S Arshad, ... Journal of Molecular Structure, 143934 , 2025 2025.0 Citations: 5
Design, synthesis, stereochemical characterization, in vitro α-glucosidase, and α-amylase inhibition and in silico studies of novel pyrazole-hydrazide hydrazones I Ameziane El Hassani, S Mortada, NJ Gumede, H Assila, A Alsalme, ... Medicinal Chemistry Research 34 (1), 252-271 , 2025 2025.0 Citations: 21
GC–MS Characterization and Bioactivity Study of Eucalyptus globulus Labill. (Myrtaceae) Essential Oils and Their Fractions: Antibacterial and Antioxidant … A Ait Benlabchir, K Fikri-Benbrahim, A Moutawalli, MM Alanazi, ... Pharmaceuticals 17 (11), 1552 , 2024 2024.0 Citations: 20
Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chlorophenyl) methyl]-3-methyl-6-oxopyridazin-1-yl}-N-phenylacetamide H Assila, Y Zaoui, C Kalonji Mubengayi, W Guerrab, A Alsubari, JT Mague, ... Structure Reports 80 (11), 1221-1225 , 2024 2024.0 Citations: 1
Pyridazine derivative as potent antihyperglycemic agent: Synthesis, crystal structure, α-amylase and α-glucosidase inhibition and computational studies H Assila, SA Brandan, S Mortada, Y Zaoui, AYA Alzahrani, S Arshad, ... Journal of Molecular Structure 1308, 138145 , 2024 2024.0 Citations: 16
Novel Pyrazole‐Based Benzofuran Derivatives as Anticancer Agents: Synthesis, Biological Evaluation, and Molecular Docking Investigations I Ameziane El Hassani, A Altay, K Karrouchi, E Yeniçeri, B Türkmenoğlu, ... Chemistry & Biodiversity 20 (11), e202301145 , 2023 2023.0 Citations: 18
2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1, 6-dihydropyridazin-1-yl]-N-(4-fluorophenyl) acetamide H Assila, I Ameziane El Hassani, A El Moutaouakil Ala Allah, A Alsubari, ... IUCrData 8 (10), x230901 , 2023 2023.0 Citations: 2
Recent advances in the synthesis of pyrazole derivatives: a review I Ameziane El Hassani, K Rouzi, H Assila, K Karrouchi, M Ansar Reactions 4 (3), 478-504 , 2023 2023.0 Citations: 142
Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl] acetate Y Zaoui, H Assila, JT Mague, A Alsubari, J Taoufik, Y Ramli, M Ansar IUCrData 7 (6), x220582 , 2022 2022.0 Citations: 6
Crystal structure and Hirshfeld surface analysis of (E)-3-benzylidene-4-oxopentanoic acid H Assila, Y Zaoui, I Ameziane El Hassani, S El Ghammarti, JT Mague, ... Structure Reports 78 (6), 563-567 , 2022 2022.0 Citations: 4
DFT-Guided Design, Synthesis, Molecular Docking, ADMET profiling, and in vitro assays of new pyridazinone derivatives as antioxidant and α-amylase inhibitors H EL BECHNA, N Oufkir, H Assila, M Hajji, S El Bassami, O Rebouzi, ... Khairo el baria and Al-Ghulikah, Hanan and Ouabane, Hajar and Benzeid … , 0
Synthesis of a new 1, 2, 4-triazole derivative and a preliminary investigation of its corrosion inhibitory effect against E24 carbon steel corrosion in 1M HCl F Lazrak, M Rehioui, S Lahmidi, S Abbout, N Oufkir, IA El Hassani, ... on Research and Innovation (ICRI’23), 124 , 0
MOST CITED SCHOLAR PUBLICATIONS
Recent advances in the synthesis of pyrazole derivatives: a review I Ameziane El Hassani, K Rouzi, H Assila, K Karrouchi, M Ansar Reactions 4 (3), 478-504 , 2023 2023.0 Citations: 142
Design, synthesis, stereochemical characterization, in vitro α-glucosidase, and α-amylase inhibition and in silico studies of novel pyrazole-hydrazide hydrazones I Ameziane El Hassani, S Mortada, NJ Gumede, H Assila, A Alsalme, ... Medicinal Chemistry Research 34 (1), 252-271 , 2025 2025.0 Citations: 21
GC–MS Characterization and Bioactivity Study of Eucalyptus globulus Labill. (Myrtaceae) Essential Oils and Their Fractions: Antibacterial and Antioxidant … A Ait Benlabchir, K Fikri-Benbrahim, A Moutawalli, MM Alanazi, ... Pharmaceuticals 17 (11), 1552 , 2024 2024.0 Citations: 20
Novel Pyrazole‐Based Benzofuran Derivatives as Anticancer Agents: Synthesis, Biological Evaluation, and Molecular Docking Investigations I Ameziane El Hassani, A Altay, K Karrouchi, E Yeniçeri, B Türkmenoğlu, ... Chemistry & Biodiversity 20 (11), e202301145 , 2023 2023.0 Citations: 18
Pyridazine derivative as potent antihyperglycemic agent: Synthesis, crystal structure, α-amylase and α-glucosidase inhibition and computational studies H Assila, SA Brandan, S Mortada, Y Zaoui, AYA Alzahrani, S Arshad, ... Journal of Molecular Structure 1308, 138145 , 2024 2024.0 Citations: 16
Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl] acetate Y Zaoui, H Assila, JT Mague, A Alsubari, J Taoufik, Y Ramli, M Ansar IUCrData 7 (6), x220582 , 2022 2022.0 Citations: 6
(E)-N'-(4-methoxybenzylidene)-2-((5-phenyl-1H-pyrazol-3-yl) oxy) acetohydrazide as potential antidiabetic agent: Synthesis, X-ray, Hirshfeld surface, biological evaluation and … IA El Hassani, CH Lai, S Mortada, A Ramalingam, H Assila, S Arshad, ... Journal of Molecular Structure, 143934 , 2025 2025.0 Citations: 5
Crystal structure and Hirshfeld surface analysis of (E)-3-benzylidene-4-oxopentanoic acid H Assila, Y Zaoui, I Ameziane El Hassani, S El Ghammarti, JT Mague, ... Structure Reports 78 (6), 563-567 , 2022 2022.0 Citations: 4
Novel hybrid pyridazinone-arylacetamide: Synthesis, crystal structure, toxicity, antidiabetic activity, oral starch tolerance test (OSTT), absorption distribution metabolism … H Assila, S Mortada, W Guerrab, IA El Hassani, Y Zaoui, J Mague, ... Journal of Molecular Structure, 144480 , 2025 2025.0 Citations: 3
2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1, 6-dihydropyridazin-1-yl]-N-(4-fluorophenyl) acetamide H Assila, I Ameziane El Hassani, A El Moutaouakil Ala Allah, A Alsubari, ... IUCrData 8 (10), x230901 , 2023 2023.0 Citations: 2
Synthesis and Characterization of Two Pyridazine N-Aryl Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HCl: Electrochemical, Surface Characterization and … H Assila, M Rehioui, H El Hadki, IA El Hassani, Y Zaoui, F Lazrak, ... Hybrid Advances, 100638 , 2026 2026.0 Citations: 1
Novel hydrazone-derived pyrazole-benzofuran compounds inhibit cancer cell growth by targeting MMPs, caspases, and PI3K/AKT/mTOR signaling pathway IA El Hassani, A Altay, E Yeniçeri, Y Boukharsa, H Assila, AYA Alzahrani, ... Bioorganic Chemistry, 109568 , 2026 2026.0 Citations: 1
Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chlorophenyl) methyl]-3-methyl-6-oxopyridazin-1-yl}-N-phenylacetamide H Assila, Y Zaoui, C Kalonji Mubengayi, W Guerrab, A Alsubari, JT Mague, ... Structure Reports 80 (11), 1221-1225 , 2024 2024.0 Citations: 1
Pharmacological Valorization of Saffron Stigmas (Crocus sativus L.): Green Ultrasonic Processing and Molecular Docking Analysis of Antioxidant Bioactives. AA Benlabchir, M Fadil, K Fikri-Benbrahim, H Assila, O El-Guourrami, ... Tropical Journal of Natural Product Research 10 (2), 7169 , 2026 2026.0
Tropical Journal of Natural Product Research A Ait Benlabchir, M Fadil, K Fikri-Benbrahim, H Assila, O El-Guourrami, ... Extraction 1, 0 , 2026 2026.0
Novel Pyridazinone‐1, 3, 4‐oxadiazole Hybrids as Antioxidant and Antidiabetic Agents: Synthesis, Biological Evaluation, ADMET, and Molecular Docking Studies Y Zaoui, S Mortada, H Assila, A Messoussi, W Guerrab, ... ChemistrySelect 10 (41), e02946 , 2025 2025.0
DFT-Guided Design, Synthesis, Molecular Docking, ADMET profiling, and in vitro assays of new pyridazinone derivatives as antioxidant and α-amylase inhibitors H EL BECHNA, N Oufkir, H Assila, M Hajji, S El Bassami, O Rebouzi, ... Khairo el baria and Al-Ghulikah, Hanan and Ouabane, Hajar and Benzeid … , 0
Synthesis of a new 1, 2, 4-triazole derivative and a preliminary investigation of its corrosion inhibitory effect against E24 carbon steel corrosion in 1M HCl F Lazrak, M Rehioui, S Lahmidi, S Abbout, N Oufkir, IA El Hassani, ... on Research and Innovation (ICRI’23), 124 , 0