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Article

Integrated Network Pharmacology and Molecular Docking Uncover Multi-Target Actions of Cladophora glomerata–Derived Compounds Against Chronic Obstructive Pulmonary Disease

by
Anis Ahamed Nazeer
1,*,
Ahmed E. Al-Sabri
1,
Salah N. Sorrori
2 and
Ibrahim A. Arif
1
1
Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
2
Plant Production Department, College of Food and Agriculture Sciences, King Saud University, Riyadh 13362, Saudi Arabia
*
Author to whom correspondence should be addressed.
Int. J. Mol. Sci. 2026, 27(4), 1619; https://doi.org/10.3390/ijms27041619
Submission received: 11 December 2025 / Revised: 10 January 2026 / Accepted: 20 January 2026 / Published: 7 February 2026
(This article belongs to the Section Molecular Pharmacology)

Abstract

Chronic Obstructive Pulmonary Disease (COPD) is a complex inflammatory lung condition characterized by oxidative stress, changes in airway structure, and gradually worsening airflow blockage. Existing treatments offer only symptomatic management, emphasizing the need for multi-target therapeutic interventions. This study employed a combined approach of network pharmacology and molecular docking to investigate the therapeutic effects of bioactive compounds derived from Cladophora glomerata on COPD. Disease-associated genes were collected from GeneCards, Online Mendelian Inheritance in Man (OMIM), and National Center for Biotechnology Information (NCBI), while compounds from C. glomerata and their predicted molecular targets were obtained from SwissTargetPrediction. A cross-comparison of targets related to compounds and diseases revealed nine common genes, among which three central genes TP53, CASP8, and EGFR were identified using protein–protein interaction (PPI) network analysis. Analysis of gene–disease interactions highlighted Tumor Protein p53 (TP53) and Epidermal Growth Factor Receptor (EGFR) as major regulatory targets. GeneMANIA-based functional and co-expression analysis revealed predominant physical interactions (77.64%) and co-expression relationships (8.01%), highlighting strong functional connectivity among the identified genes. Molecular docking further confirmed that C. glomerata derived compounds, particularly Quinoline, 1,2,3,4-tetrahydro-1-((2-phenylcyclopropyl)sulfonyl)-, trans- (Pubchem ID: 91709903) (−7.5 kcal/mol) and1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[(4-iodo-1H-pyrazol-1-yl)methyl]- (Pubchem ID: 5301194) (−7.3 kcal/mol), exhibit favorable predicted binding affinities toward EGFR and TP53 in molecular docking analysis. Overall, these insights suggest that Cladophora glomerata compounds may modulate key COPD-related pathways through multi-target interactions, providing a scientific basis for future experimental studies and the development of marine-derived therapeutic agents for COPD management.
Keywords: COPD; Cladophora glomerata; network pharmacology; molecular docking; EGFR; TP53 COPD; Cladophora glomerata; network pharmacology; molecular docking; EGFR; TP53

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MDPI and ACS Style

Nazeer, A.A.; Al-Sabri, A.E.; Sorrori, S.N.; Arif, I.A. Integrated Network Pharmacology and Molecular Docking Uncover Multi-Target Actions of Cladophora glomerata–Derived Compounds Against Chronic Obstructive Pulmonary Disease. Int. J. Mol. Sci. 2026, 27, 1619. https://doi.org/10.3390/ijms27041619

AMA Style

Nazeer AA, Al-Sabri AE, Sorrori SN, Arif IA. Integrated Network Pharmacology and Molecular Docking Uncover Multi-Target Actions of Cladophora glomerata–Derived Compounds Against Chronic Obstructive Pulmonary Disease. International Journal of Molecular Sciences. 2026; 27(4):1619. https://doi.org/10.3390/ijms27041619

Chicago/Turabian Style

Nazeer, Anis Ahamed, Ahmed E. Al-Sabri, Salah N. Sorrori, and Ibrahim A. Arif. 2026. "Integrated Network Pharmacology and Molecular Docking Uncover Multi-Target Actions of Cladophora glomerata–Derived Compounds Against Chronic Obstructive Pulmonary Disease" International Journal of Molecular Sciences 27, no. 4: 1619. https://doi.org/10.3390/ijms27041619

APA Style

Nazeer, A. A., Al-Sabri, A. E., Sorrori, S. N., & Arif, I. A. (2026). Integrated Network Pharmacology and Molecular Docking Uncover Multi-Target Actions of Cladophora glomerata–Derived Compounds Against Chronic Obstructive Pulmonary Disease. International Journal of Molecular Sciences, 27(4), 1619. https://doi.org/10.3390/ijms27041619

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