Correspondence Address:
Mr. Sarvesh Turambekar Research Associate, R&D Department, Alarsin Mumbai, India Email - stturambekar@gmail.com Mobile no:- 99697 68759
Date of Acceptance: 2025-11-11
Date of Publication:2025-12-06
Article-ID:IJIM_472_12_25 https://ijim.co.in
Source of Support: Nil
Conflict of Interest: Non declared
How To Cite This Article: Turambekar S., Kokane N., Sawant M., Jadhav R. Computational Docking Study of Phytochemicals against Ovarian and Uterine Disorder-Associated Protein Targets. Int J Ind Med 2025;6(11):56-65 DOI: http://doi.org/10.55552/IJIM.2025.61108
Background: Menstrual disorders are widespread and often inadequately managed by conventional therapies. Ayurvedic formulations such as Aloes Compound have shown clinical efficacy but lack mechanistic validation. Objective: To explore molecular interactions of phytochemicals from Aloes Compound with key ovarian and uterine receptor targets. Methods: Twenty-six phytochemicals were docked against six reproductive receptors (FSHR, ERα, ERβ, PR, PGE2, GPR30) using Auto Dock Vina. Docking validation was done by native ligand re-docking and active site overlap analysis. Results: Steroidal compounds (friedelin, stigmasterol, β-sitosterol) showed highest affinity with FSHR and ERα; flavonoids (rutin, luteolin) showed strong multi receptor activity. Active site overlap confirmed pharmacological relevance. Conclusion: The study provides mechanistic insight into the clinical efficacy of an Aloes Compound, suggesting multi target modulation of reproductive pathways consistent with Ayurvedic claims.
Keywords: Menstrual disorders; Fertility regulation; Molecular docking; Multi target therapeutics.
