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Biological activity of Juglans regia leaf extract and in silico evaluation of its phytochemicals against Plasmodium berghei target proteins Cover

Biological activity of Juglans regia leaf extract and in silico evaluation of its phytochemicals against Plasmodium berghei target proteins

Helminthologia
Volume 63 (2026): Issue 1 (March 2026)
By: ,  ,  ,  ,   and    
Open Access
|Jun 2026
Figures & tables

Figures & Tables

Fig. 1.

Three-dimensional structures of Plasmodium berghei proteins—Profilin (AFDB: B8QYR5), L-lactate dehydrogenase (AFDB: P84793), Cytochrome c oxidase subunit 1 (COI; AFDB: O99252), Cytochrome b (MT-CYB; AFDB: O99253), and Pyridoxal 5’-phosphate synthase subunit Pdx1 (AFDB: PODMsO)—retrieved from the UniProt protein database (https://www.uniprot.org/)

Fig. 2.

Time taken for paralysis of the earthworms, E. fetida, in various treatments. * Significance change with respect to those treated with dist. H2O, #Significance change compared to those treated with mebendazole.

Fig. 3.

Time taken for the Death of the earthworms, E. fetida, in various treatments. * Significance change with respect to those treated with dist. H2O, #Significance change compared to those treated with mebendazole.

Fig. 4.

Histology of the cuticle of the earthworms, E. fetida, following various treatments. (A) The control group. (B) 200 mg/mL JRLE. (C) 10 mg/ml Mebendazole. Sections were stained with H&E. Scale bar = 10μm.

Fig. 5a.

The 2D and 3D interaction between Profilin and 3-O-Methyl-d-glucose. All hydrogen bonds are represented as yellow dashes, aromatic hydrogen bonds represented as cyan blue dashes, and pi-pi stacking represented as green dashes.

Fig. 5b.

The 2D and 3D interaction between Profilin and 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyk All hydrogen bonds are represented as yellow dashes, aromatic hydrogen bonds represented as cyan blue dashes, and pi-pi stacking represented as green dashes.

Fig. 5c.

The 2D and 3D interaction between L-lactate dehydrogenase and 3-O-Methyl-d-glucose. All hydrogen bonds are represented as yellow dashes, aromatic hydrogen bonds represented as cyan blue dashes, and pi-pi stacking represented as green dashes.

Fig. 5d.

The 2D and 3D interaction between L-lactate dehydrogenase and 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-. All hydrogen bonds are represented as yellow dashes, aromatic hydrogen bonds represented as cyan blue dashes, and pi-pi stacking represented as green dashes.

Fig. 5e.

The 2D and 3D interaction between Pyridoxal 5’-phosphate synthase and 3-O-Methyl-d-glucose. All hydrogen bonds are represented as yellow dashes, aromatic hydrogen bonds represented as cyan blue dashes, and pi-pi stacking represented as green dashes.

Fig. 5f.

The 2D and 3D interaction between Pyridoxal 5’-phosphate synthase and 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-. All hydrogen bonds are represented as yellow dashes, aromatic hydrogen bonds represented as cyan blue dashes, and pi-pi stacking represented as green dashes.

Fig. 5g.

The 2D and 3D interaction between Cytochrome b synthase and γ-Sitosterol. All hydrogen bonds are represented as yellow dashes, aromatic hydrogen bonds represented as cyan blue dashes, and pi-pi stacking represented as green dashes.

Fig. 5h.

The 2D and 3D interaction between Cytochrome b synthase and Stigmasterol. There is no interaction represented in 2D as the ligand has a good confirmation inside the receptor grid, which is reflected in a high docking score. All hydrogen bonds are represented as yellow dashes, aromatic hydrogen bonds represented as cyan blue dashes, and pi-pi stacking represented as green dashes.

Fig. 5i.

The 2D and 3D interaction between Cytochrome c oxidase subunit and Heptanediamide, N,N’-di-benzoyloxy-. All hydrogen bonds are represented as yellow dashes, aromatic hydrogen bonds represented as cyan blue dashes, and pi-pi stacking represented as green dashes.

The docking scores and hydrogen bonds between the top ligands with different proteins_

Compound namePubChem Compound CIDProteinFree energy of binding (Kcal/mol)Residues involved in bondingH-bonds distance (Å)Number of bonds
Profilin-6.440Lys72(2), Thr73, Thr75(2), Asp912.02,1.79,2.21,2.19,2.09,2.16H bonds
3-O-Methyl-d-glucose8973L-lactate dehydrogenase-7.582Asn127(2), Arg158, His182, Ser234, Pro2351.67, 2.06, 1.79, 1.97, 1.94, 2.09 2.15, 2.01, 1.81, 1.89, 2.24,6H bonds
Pyridoxal 5’-phosphate synthase subunit-9.103Asp27,Lys84, Gly156, Gly217, lie218, Phe238, Gly2381.93,2.147H bonds
Profilin-4.494Lys72, Asp91,Gly922.44,2.12,1.93H bonds
4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-119838L-lactate dehydrogenase-5.611Arg95+(S),His182,Arg158+(S)2.4,1.92,2.253H bonds +2 (S)
Pyridoxal 5’-phosphate synthase-7.568Gly156, Gly217, Ser2392.08,1.82,1.943H bonds
γ-Sitosterol457801- Cytochrome b-8.392- Phe2842.66IHbond
St¡gmasterol5280794 -7.766 1.84IHbond
Heptanediamide, N,N’-dibenzoyloxy-569848Cytochrome c oxidase subunit 1-9.799Trp131(2), His248, His382, Arg446(2), Tyr250(P)1.82,2.47,2.21,1.98,2.06,2.716H Bond +1 (P)
DOI: https://doi.org/10.2478/helm-2026-0009 | Journal eISSN: 1336-9083 | Journal ISSN: 0440-6605
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Language: English
Page range: 48 - 60
Submitted on: Nov 5, 2025
Accepted on: Mar 17, 2026
Published on: Jun 15, 2026
Published by: Slovak Academy of Sciences, Institute of Parasitology
In partnership with: Paradigm Publishing Services
Publication frequency: Volume open
Keywords:
Juglans regia,
anthelmintic,
Eisenia fetida,
molecular docking,
Plasmodium berghei,
phytochemicals
Related subjects:
Life sciences,
Zoology,
Ecology,
Life sciences, other,
Medicine,
Clinical medicine,
Microbiology, virology and infection epidemiology

© 2026 H. M. ALHARBI, M. DKHIL, S. SANTOURLIDIS, M. ALBESHR, E. M. AL-SHAEBI, R. ABDEL-GABER, published by Slovak Academy of Sciences, Institute of Parasitology
This work is licensed under the Creative Commons Attribution 4.0 License.

Volume 63 (2026): Issue 1 (March 2026)
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