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Roshini Singh,
Nandini Chaurasia,
Dhirendra Yadav,
Nikita Basant,
- ,Assistant professor, Department of Biotechnology, SR Institute of Management & Technology, Lucknow, Uttar Pradesh, India, Uttar Pradesh, India
- Student, Department of Biotechnology, SR Institute of Management & Technology, Lucknow, Uttar Pradesh, India, Uttar Pradesh, India
- Student, Department of Biotechnology, SR Institute of Management & Technology, Lucknow, Uttar Pradesh, India, Uttar Pradesh, India
- Associate professor, Centre of Excellence (AI & ML), Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Lucknow 226028 (India), Uttar Pradesh, India
Abstract
COPD is a chronic lung disease that affects a large number of people worldwide and is a cause of death. Despite existing medications, effective therapies with fewer side effects is still needed. The use of herbal medicine, especially Zataria multiflora, has proven to be useful because of its antioxidant and anti-inflammatory properties. The mechanisms involved in COPD with it, however, are still not fully understood. In this research, network pharmacology is combined with molecular docking to identify therapeutic targets of COPD using Z. multiflora. Active compounds of Z. multiflora were screened by Swiss Target Prediction and PubChem, and the genes related to COPD were retrieved from GeneCards. 177 overlapping genes were identified using Venn diagram. Determination of hub genes (AKT1, ESR1, EGFR, TNF, ALB, GAPDH) was done by CytoHubba. Gene Ontology (GO) and KEGG pathway analysis was done, and improvement in oxidative stress, inflammatory and metabolic pathways related to COPD was observed. The docking poses revealed high binding potential of caryophyllene (PubChem ID: 5281515) with the most important proteins of the hub proteins. This study offers insights to the molecular mechanisms of Z. multiflora in COPD and proposes bioactive compounds of this plant as therapeutic agents. The results indicate the potential of natural compounds as therapeutic agents in COPD, underscoring the need for additional experimental investigation.
Keywords: COPD, Zataria multiflora, network pharmacology, molecular docking, inflammation, Gene ontology, KEGG pathways
References
1. Geraci T, DeMaio AJ. Chronic Obstructive Pulmonary Disease. Contemporary Surgical Clerkships. 2024;217–28. Available from: https://link.springer.com/chapter/10.1007/978-3-031-44645-0_19
2. World Health Organization: WHO. Chronic obstructive pulmonary disease (COPD). Who.int. World Health Organization: WHO; 2026. Available from: https://www.who.int/news-room/fact- sheets/detail/chronic-obstructive-pulmonary-disease-(copd)
3. Jo YS. Long-Term Outcome of Chronic Obstructive Pulmonary Disease: A Review. Tuberculosis and Respiratory Diseases. 2022 Oct 1;85(4):289–301. Available from: https://pubmed.ncbi.nlm.nih.gov/35822318/
4. 2025 GOLD Report – Global Initiative for Chronic Obstructive Lung Disease – GOLD. Global Initiative for Chronic Obstructive Lung Disease – GOLD. 2024. Available from: https://goldcopd.org/2025-gold-report/. https://goldcopd.org/2025-gold-report/
5. Bhoyar V, Suryawanshi V, Kanya D. Chronic obstructive pulmonary disease (COPD): New treatment and management approaches. Multidisciplinary Reviews. 2024 Dec 5;8(5):2025105. Available from: https://malque.pub/ojs/index.php/mr/article/view/5558
6. Sahu SK, Rain MM, Vyas M. Therapeutic potential of natural compounds for treatment of chronic obstructive pulmonary disease: current status and future perspective. European Journal of Medicinal Chemistry Reports. 2024 Aug 1;11:100159.
7. Ghorani V, Rajabi O, Mirsadraee M, Amini M, Ghaffari S, Boskabady MH. Zataria multiflora affects pulmonary function tests, respiratory symptoms, bronchodilator drugs use and hematological parameters in chronic obstructive pulmonary disease patients: A randomized doubled-blind clinical trial. Journal of ethnopharmacology. 2024 May 23;326:117928.
8. Bardou P, Mariette J, Escudié F, Djemiel C, Klopp C. jvenn: an interactive Venn diagram viewer. BMC bioinformatics. 2014 Aug 29;15(1):293.
9. Chin CH, Chen SH, Wu HH, Ho CW, Ko MT, Lin CY. cytoHubba: identifying hub objects and sub- networks from complex interactome. BMC systems biology. 2014 Dec 8;8(Suppl 4):S11.
10. Ge SX, Jung D, Yao R. ShinyGO: a graphical gene-set enrichment tool for animals and plants. Bioinformatics. 2020 Apr 15;36(8):2628-9.
11. O’Boyle NM, Banck M, James CA, Morley C, Vandermeersch T, Hutchison GR. Open Babel: An open chemical toolbox. Journal of cheminformatics. 2011 Oct 7;3(1):33.
12. Rosignoli S, Paiardini A. Boosting the full potential of PyMOL with structural biology plugins. Biomolecules. 2022 Nov 27;12(12):1764.
13. Ghasemi S, Javadi NH, Moradi M, Khosravi-Darani K. Application of zein antimicrobial edible film incorporating Zataria multiflora boiss essential oil for preservation of Iranian ultrafiltered Feta cheese. Afr. J. Biotechnol. 2015 Jul 29;14(24):2014-21.
14. Barreiro E, De La Puente B, Minguella J, Corominas JM, Serrano S, Hussain SN, Gea J. Oxidative stress and respiratory muscle dysfunction in severe chronic obstructive pulmonary disease. American journal of respiratory and critical care medicine. 2005 May;171(10):1116-24.
15. Rodrigues SD, Cunha CM, Soares GM, Silva PL, Silva AR, Goncalves-de-Albuquerque CF. Mechanisms, pathophysiology and currently proposed treatments of chronic obstructive pulmonary disease. Pharmaceuticals. 2021 Sep 26;14(10):979.
16. Cho YY, Kim S, Kim P, Jo MJ, Park SE, Choi Y, Jung SM, Kang HJ. G-protein-coupled receptor (GPCR) signaling and pharmacology in metabolism: physiology, mechanisms, and therapeutic potential. Biomolecules. 2025 Feb 15;15(2):291.
17. Li CL, Liu SF. Exploring molecular mechanisms and biomarkers in COPD: an overview of current advancements and perspectives. International journal of molecular sciences. 2024 Jul 4;25(13):7347.
18. Chen C, Huang Z, Dong S, Ding M, Li J, Wang M, Zeng X, Zhang X, Sun X. Calcium signaling in oocyte quality and functionality and its application. Frontiers in endocrinology. 2024 Aug 16;15:1411000.
19. Guan L, Yang H, Cai Y, Sun L, Di P, Li W, Liu G, Tang Y. ADMET-score–a comprehensive scoring function for evaluation of chemical drug-likeness. Medchemcomm. 2019 Jan 1;10(1):148-57.
International Journal of Cell Biology and Cellular Functions
| Volume | 04 | |
| 02 | ||
| Received | 18/07/2026 | |
| Accepted | 14/09/2026 | |
| Published | 25/09/2026 | |
| Publication Time | 69 Days |