Unveiling the galactagogue mechanism of leptadenia reticulata active components: in-silico molecular docking studies on dopamine, oxytocin, and thyroid hormone receptors.

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Published Jan 12, 2026
https://doi.org/10.52482/ayurline.v10i1.1025
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Vol. 10 No. 1 (2026): AYURLINE: IJ-RIM | Jan-March 2026

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Nachiket M. Atale
Tushar R. Gaikwad
Sarvesh Turambekar
Ulhas K. Patil
Rajendra Choure

Abstract

Leptadenia reticulata is traditionally used to enhance lactation; however, its precise molecular mechanism of action remains unclear. To investigate the interactions of two major phytosterols: stigmasterol and β-sitosterol with key lactation-related receptors using in-silico molecular docking. Molecular docking studies were conducted to examine the binding of stigmasterol and β-sitosterol to dopamine D2 receptor (D2R), oxytocin receptor (OXTR), and thyroid hormone receptors (TRβ and TRα). Both compounds exhibited strong binding affinity to D2R near the dopamine active site, suggesting potential non-competitive inhibition of dopamine’s action, which may enhance prolactin secretion. They also bound to OXTR with greater affinity than cholesterol, indicating a possible role in facilitating oxytocin-mediated milk ejection. Moderate interactions with TRβ and TRα suggest a supportive influence on lactation through thyroid regulation. The study reveals a possible multi-receptor mechanism by which Leptadenia reticulata may promote lactation, supporting the application of computational methods to validate traditional therapeutic claims.

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Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

Author Biography

Rajendra Choure

Microbiology Department, The Institute of Science,  Dr. Homi Bhabha State University, Mumbai, 400032, India

How to Cite
Nachiket M. Atale, Tushar R. Gaikwad, Sarvesh Turambekar, Ulhas K. Patil, & Rajendra Choure. (2026). Unveiling the galactagogue mechanism of leptadenia reticulata active components: in-silico molecular docking studies on dopamine, oxytocin, and thyroid hormone receptors. Ayurline: International Journal of Research in Indian Medicine, 10(1). https://doi.org/10.52482/ayurline.v10i1.1025

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