İstanbul Journal of Pharmacy

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DOI :10.26650/IstanbulJPharm.2025.1441299   IUP :10.26650/IstanbulJPharm.2025.1441299    Tam Metin (PDF)

Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions

Elif Barış, Hüseyin Saygın Portakal

Background: Lavandula stoechas, commonly known as lavender, has traditionally been used in various therapeutic applications, including smoking cessation. The molecular interaction of Lavandula stoechas compounds with the α4β2 nicotinic acetylcholine receptors, which are crucial for smoking cessation, is not well understood. This study aims to analyze these interactions and compare them with the known smoking cessation drug varenicline tartrate.

Methods: Molecular docking analysis was performed on essential compounds of Lavandula stoechas to assess their binding affinities to the α4β2 nicotinic acetylcholine receptors. The study utilized the crystal structure of the receptor and conducted virtual drug screening using AutoDock Vina in the PyRx Virtual Screening Tool. ADME (Absorption, Distribution, Metabolism, and Excretion) and toxicity profiles were also predicted using in silico methods.

Results: The molecular docking revealed that several Lavandula stoechas compounds exhibited signif7 icant binding affinities to the α4β2 receptor. Compounds with the highest binding affinities were identified and compared with varenicline. The ADME and toxicity profiles indicated that these compounds had more favorable properties than varenicline, suggesting their potential as alternative smoking cessation agents.

Discussion: The findings demonstrate that Lavandula stoechas contains compounds with significant binding affinities to the α4β2 nicotinic acetylcholine receptors, similar to varenicline. This indicates a potential role for Lavandula stoechas in smoking cessation therapy. The favorable ADME and toxicity profiles of these compounds further support their potential as alternatives to current smoking cessation drugs. This study paves the way for further research into the therapeutic applications of Lavandula stoechas in smoking cessation.

Anahtar Kelimeler: Molecular docking, α4β2 Nicotinic Receptor, Varenicline, Lavandula Stoechas, Smoking cessation

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APA

Barış, E., & Portakal, H.S. (2025). Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions. İstanbul Journal of Pharmacy, 55(1), 43-57. https://doi.org/10.26650/IstanbulJPharm.2025.1441299


AMA

Barış E, Portakal H S. Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions. İstanbul Journal of Pharmacy. 2025;55(1):43-57. https://doi.org/10.26650/IstanbulJPharm.2025.1441299


ABNT

Barış, E.; Portakal, H.S. Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions. İstanbul Journal of Pharmacy, [Publisher Location], v. 55, n. 1, p. 43-57, 2025.


Chicago: Author-Date Style

Barış, Elif, and Hüseyin Saygın Portakal. 2025. “Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions.” İstanbul Journal of Pharmacy 55, no. 1: 43-57. https://doi.org/10.26650/IstanbulJPharm.2025.1441299


Chicago: Humanities Style

Barış, Elif, and Hüseyin Saygın Portakal. “Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions.” İstanbul Journal of Pharmacy 55, no. 1 (Aug. 2025): 43-57. https://doi.org/10.26650/IstanbulJPharm.2025.1441299


Harvard: Australian Style

Barış, E & Portakal, HS 2025, 'Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions', İstanbul Journal of Pharmacy, vol. 55, no. 1, pp. 43-57, viewed 17 Aug. 2025, https://doi.org/10.26650/IstanbulJPharm.2025.1441299


Harvard: Author-Date Style

Barış, E. and Portakal, H.S. (2025) ‘Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions’, İstanbul Journal of Pharmacy, 55(1), pp. 43-57. https://doi.org/10.26650/IstanbulJPharm.2025.1441299 (17 Aug. 2025).


MLA

Barış, Elif, and Hüseyin Saygın Portakal. “Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions.” İstanbul Journal of Pharmacy, vol. 55, no. 1, 2025, pp. 43-57. [Database Container], https://doi.org/10.26650/IstanbulJPharm.2025.1441299


Vancouver

Barış E, Portakal HS. Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions. İstanbul Journal of Pharmacy [Internet]. 17 Aug. 2025 [cited 17 Aug. 2025];55(1):43-57. Available from: https://doi.org/10.26650/IstanbulJPharm.2025.1441299 doi: 10.26650/IstanbulJPharm.2025.1441299


ISNAD

Barış, Elif - Portakal, HüseyinSaygın. “Exploring the potential of Lavandula stoechas in smoking cessation: A molecular docking study of α4β2 nicotinic acetylcholine receptor interactions”. İstanbul Journal of Pharmacy 55/1 (Aug. 2025): 43-57. https://doi.org/10.26650/IstanbulJPharm.2025.1441299



ZAMAN ÇİZELGESİ


Gönderim22.02.2024
Kabul22.10.2024
Çevrimiçi Yayınlanma07.05.2025

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