Authors : Shridharan L. K.; Balachandhiran B.; Bathrinathan A.; Boobalan S.; Chitradevi S.; Kannan S.; Sangameswaran B.

Volume/Issue : Volume 11 - 2026, Issue 5 - May

Google Scholar : https://tinyurl.com/4skuzm2c

Scribd : https://tinyurl.com/8y9nk5ce

DOI : https://doi.org/10.38124/ijisrt/26May994

Note : A published paper may take 4-5 working days from the publication date to appear in PlumX Metrics, Semantic Scholar, and ResearchGate.

Abstract : Background: Hypertension (high blood pressure) is a major cause of cardiovascular disease and is highly prevalent worldwide, particularly in developing countries.  Aim & Objectives: Present investigation has been conducted to assess the anti-hypertensive property of Leucas aspera ethanolic extract through phytochemical screening, GC–MS analysis and molecular docking approach. In the initial part, a green ethanolic extract was prepared using the Soxhlet method, which comprised terpenoids, flavonoids, phenols, tannins, saponins and alkaloids. The GC–MS analysis revealed 2-Methoxy-4-vinylphenol as an important phytocompound that possessed high binding affinity (–6.4 kcal/mol) to the AT1 receptor through docking studies, making numerous hydrogen and hydrophobic bonds with vital residues. Based on these findings, it may be concluded that the plant Leucas aspera may exert antihypertensive effects by acting as an antagonist against the AT1 receptor.

Keywords : Leucas aspera, GC-MS Analysis and Molecular Docking Assay, Angiotensin II, AT1 Receptor.

References :

1. World Health Organization. Hypertension. Geneva: WHO; 2023.
2. Whelton PK, et al. 2017 ACC/AHA guideline for the prevention, detection, evaluation, and management of high blood pressure in adults. J Am Coll Cardiol. 2018;71(19):e127–248.
3. Gupta R, et al. Hypertension: The most important non communicable disease risk factor in India. Indian Heart J. 2018;70(4):565–72.
4. Mangathayaru K, et al. GC and GC/MS analysis of essential oil composition of the endemic Soqotraen Leucas virgata Balf.f. and its antimicrobial and antioxidant activities. 2014.
5. Gogoi, B., Chowdhury, P., Goswami, N. et al. Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation. Mol Divers 25, 1963–1977 (2021).
6. Sahu, N., Mishra, S., Kesheri, M. et al. Identification of Cyanobacteria-Based Natural Inhibitors against SARS-CoV-2 Druggable Target ACE2 Using Molecular Docking Study, ADME and Toxicity Analysis. Ind J Clin Biochem (2022).
7. Zubair MS, Maulana S, Widodo A, Mukaddas A, Pitopang R. Docking Study on Anti-HIV-1 Activity of Secondary Metabolites from Zingiberaceae Plants. J Pharm Bioallied Sci 12, S763-S767 (2020).
8. Abchir, O., Daoui, O., Belaidi, S., Ouassaf, M., Qais, F. A., ElKhattabi, S., & Chtita, S. Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies. Journal of Molecular Modeling, 28(4), 106. (2022).
9. Vijay Kumar G, et al. An update of Leucas aspera – a medicinal plant. Int J Sci Res Methodol. 2016 Nov;5(1).
10. Madhu GC, et.al. In-vivo studies on anti-diabetic potential of Leucas aspera in streptozotocin induced diabetic Wistar albino rats. J Drug Deliv Ther. 2019;9(4)
11. Shilpa Hiremath, Pradeep, Ashwini Jeerankalagi. et al. Leucas aspera spreng (Dronapushpi): A Review, Journal of Ayurvedic and Herbal Medicine 2022;8910:48-54.
12. Kulandaisamy Agens Nirmala, Marimuthu Kanchana, Leucas aspera-A Review of its Biological activity, Sys Rev Pharm,2018;9(1):41-44.
13. James Redfern , Malcolm Kinninmonth , Dariel Burdass , Joanna Verran^, et  al. Using Soxhlet Ethanol Extraction to Produce and Test Plant Material (Essential Oils) for Their Antimicrobial Properties,J Microbiol Biol Educ,2014 May 1;15(1):45–46.
14. Rostagno, M.A., & Prado, J.M. (2013), Techniques for extraction of bioactive compounds from plant materials: A review.Trends in Food Science & Technology, 30(1), 56–66.
15. K., Panchal, N., & Ingle, P, et al (2018), Review of Extraction Techniques: Microwave, Ultrasonic, Pressurized Fluid, Soxhlet Extraction, Etc.International Journal of Advanced Research in Chemical Science, 6(3), 6–21
16. Sparkman, O.D., Penton, Z., & Kitson, F.G,Gas Chromatography and Mass Spectrometry: A Practical Guide. 2nd ed. Academic Press; 2011, pp. 15–48.
17. Hites, R.A,Handbook of Instrumental Techniques for Analytical Chemistry. Pearson Education; 1997, pp. 609–626.
18. Kitson, F.G., Larsen, B.S., & McEwen, C.N,Gas Chromatography and Mass Spectrometry: A Practical Guide, Academic Press; 1996, pp. 3–35.
19. Dr. Namratha Sunkara, et al. A Review on Gas Chromatography-Mass Spectrometry (GC-MS), Bharat Institute of Technology, Mangalpally, Ibrahimpatnam, Rangareddy, Telangana, India.11 Jul, 2025.
20. Kumar et al., 2020 — Bioactive Potential of 2-Methoxy-4-vinylphenol and Benzofuran from Brassica oleracea L.
21. Chaudhary, M., & Tyagi, K. (2024). A review on molecular docking and its application. International Journal of Advanced Research, 12(3), 1141–1153.