MOLECULAR DOCKING OF ABROMA AUGUSTA PHYTOCOMPOUNDS AGAINST ESTROGEN RECEPTOR ALPHA (ER-α) FOR THE TREATMENT OF MENSTRUAL DISORDERS

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Open Access

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Notice

nThis is an unedited manuscript accepted for publication and provided as an Article in Press for early access at the author’s request. The article will undergo copyediting, typesetting, and galley proof review before final publication. Please be aware that errors may be identified during production that could affect the content. All legal disclaimers of the journal apply.n

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Year : 2025 [if 2224 equals=””]16/09/2025 at 10:02 AM[/if 2224] | [if 1553 equals=””] Volume : 03 [else] Volume : 3[/if 1553] | [if 424 equals=”Regular Issue”]Issue : [/if 424][if 424 equals=”Special Issue”]Special Issue[/if 424] [if 424 equals=”Conference”][/if 424] 02 | Page :

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    By

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    Sanjana V Rao,

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  1. Student, Department of Biotechnology, BMS College of Engineering, Bengaluru, Karnataka, India
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Abstract

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nMenstrual disorders, including dysmenorrhea (painful menstruation), amenorrhea (absence of
menstruation), and irregular menstrual cycles, significantly impact women reproductive health
and overall well-being. These conditions often arise from hormonal imbalances, inflammation, and
uterine dysfunction, necessitating effective therapeutic interventions. Current treatments, such as
hormonal therapies (oral contraceptives, progestin-only pills), NSAIDs, and surgical procedures
(endometrial ablation, hysterectomy), provide relief but often target symptoms rather than
addressing the underlying causes. Consequently, there is a growing interest in alternative plant-based therapies with gynecological benefits, with Abroma augusta emerging as a promising candidate. The objective of the study is to identify the potential phytocompounds of Abroma
augusta and evaluate their therapeutic potential by analyzing their binding affinity with Estrogen
Receptor Alpha (ER-α) through molecular docking. By investigating the molecular interactions of
these compounds, this research seeks to provide scientific validation for the traditional use of A.
augusta and explore its potential as a natural therapeutic agent for menstrual disorders.nn

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Keywords: Menstrual disorders, Abroma augusta, Estrogen Receptor Alpha (ER-α), Molecular Docking

n[if 424 equals=”Regular Issue”][This article belongs to International Journal of Molecular Biotechnological Research ]

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[/if 424][if 424 equals=”Special Issue”][This article belongs to Special Issue under section in International Journal of Molecular Biotechnological Research (ijmbr)][/if 424][if 424 equals=”Conference”]This article belongs to Conference [/if 424]

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How to cite this article:
nSanjana V Rao. [if 2584 equals=”][226 wpautop=0 striphtml=1][else]MOLECULAR DOCKING OF ABROMA AUGUSTA PHYTOCOMPOUNDS AGAINST ESTROGEN RECEPTOR ALPHA (ER-α) FOR THE TREATMENT OF MENSTRUAL DISORDERS[/if 2584]. International Journal of Molecular Biotechnological Research. 16/09/2025; 03(02):-.

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How to cite this URL:
nSanjana V Rao. [if 2584 equals=”][226 striphtml=1][else]MOLECULAR DOCKING OF ABROMA AUGUSTA PHYTOCOMPOUNDS AGAINST ESTROGEN RECEPTOR ALPHA (ER-α) FOR THE TREATMENT OF MENSTRUAL DISORDERS[/if 2584]. International Journal of Molecular Biotechnological Research. 16/09/2025; 03(02):-. Available from: https://journals.stmjournals.com/ijmbr/article=16/09/2025/view=0

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References n

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  1. Goswami R, Chatterjee P, Sinha T. Abroma augusta (L.) L. f.: An ethnopharmacological
    review of its traditional uses and modern applications. World J Biol Pharm Health Sci.
    2023;14(3). doi:10.30574/wjbphs.2023.14.3.0235.
    2. Hazra K, Dutta S, Mandal AK, Ravte RK, Mitra A, Hazra J. Pharmacognostical and
    phytochemical blueprint of Abroma augusta L. stem bark. Indian J Nat Prod Res.
    2021;12(2):271–280.
    3. Balkrishna A, Mishra S, Dhyani A, Saini P, Arya V, Sharma N. A comprehensive review of
    Abroma Augusta (Devil’s Cotton): Phytochemical constituents, ethnomedicinal
    applications, and pharmacological properties. Curr Indian Sci. 2023.
    4. Marjhan N. Review on therapeutic properties of Abroma Augusta L. 2024;10:42–45.
    5. Soundarmal JK, Tupkar SD, Biyani KR, Ruptakke SM. A review of the phytochemical
    constituents and pharmacological activities of Abroma augusta Linn. World J Pharm Res.
    2023;12(5):589–594. doi:10.20959/wjpr20235‑27558
    6. Tang ZR, Zhang R, Lian ZX, Deng SL, Yu K. Estrogen-receptor expression and function in
    female reproductive disease. Cells. 2019;8(10):1123. doi:10.3390/cells8101123.
    7. Chen P, Li B, Ou-Yang L. Role of estrogen receptors in health and disease. Front
    Endocrinol (Lausanne). 2022;13:839005. doi:10.3389/fendo.2022.839005.
    8. Arnal JF, Lenfant F, Metivier R, Flouriot G, Henrion D, Adlanmerini M, et al. Membrane
    and nuclear estrogen receptor alpha actions: From tissue specificity to medical implications.
    Physiol Rev. 2017;97(3):1045–1087. doi:10.1152/physrev.00024.2016.
    9. Enmark E, Pelto-Huikko M, Grandien K, Lagercrantz S, Lagercrantz J, Fried G, et al.
    Human estrogen receptor beta-gene structure, chromosomal localization, and expression
    pattern. J Clin Endocrinol Metab. 1997;82(12):4258–4265. doi:10.1210/jcem.82.12.4470.
    10. Jia M, Dahlman-Wright K, Gustafsson JÅ. Estrogen receptor alpha and beta in health and
    disease. Best Pract Res Clin Endocrinol Metab. 2015;29(4):557–568.
    doi:10.1016/j.beem.2015.04.008.
    11. Yu K, Huang ZY, Xu XL, Li J, Fu XW, Deng SL. Estrogen receptor function: Impact on the
    human endometrium. Front Endocrinol (Lausanne). 2022;13:827724.
    doi:10.3389/fendo.2022.827724.
    12. Mohanraj K, Karthikeyan BS, Vivek-Ananth RP, Chand RPB, Aparna SR, Mangalapandi P,
    et al. IMPPAT: A curated database of Indian medicinal plants, phytochemistry and
    therapeutics. Sci Rep. 2018;8(1):4329. doi:10.1038/s41598-018-22631-z.
    13. Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, et al. PubChem in 2021: New data
    content and improved web interfaces. Nucleic Acids Res. 2021;49(D1):D1388–D1395.
    doi:10.1093/nar/gkaa971.
    14. Burley SK, Berman HM, Kleywegt GJ, Markley JL, Nakamura H, Velankar S. Protein Data
    Bank (PDB): The single global macromolecular structure archive. Methods Mol Biol.
    2017;1607:627–641. doi:10.1007/978-1-4939-7000-1_26.
    15. Jejurikar BL, Rohane SH. Drug designing in Discovery Studio. Asian J Res Chem.
    2021;14(2):135–138. doi:10.5958/0974-4150.2021.00025.0.
    16. Zhou AQ, O’Hern CS, Regan L. Revisiting the Ramachandran plot from a new angle.
    Protein Sci. 2011;20(7):1166–1171. doi:10.1002/pro.644.

17. Daina A, Michielin O, Zoete V. SwissADME: A free web tool to evaluate
pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules.
Sci Rep. 2017;7:42717. doi:10.1038/srep42717.
18. Yang H, Lou C, Sun L, Li J, Cai Y, Wang Z, et al. admetSAR 2.0: Web-service for
prediction and optimization of chemical ADMET properties. Bioinformatics.
2019;35(6):1067–1069. doi:10.1093/bioinformatics/bty707.
19. Kondapuram S, Sarvagalla S, Coumar M. Docking-based virtual screening using PyRx tool:
Autophagy target Vps34 as a case study. In: Computational Approaches in Drug Discovery
and Precision Medicine. 2021. doi:10.1016/B978-0-12-822312-3.00019-9.
20. Alam M, Ahmed S, Elasbali AM, Adnan M, Alam S, Hassan MI, et al. Therapeutic
implications of caffeic acid in cancer and neurological diseases. Front Oncol.
2022;12:860508. doi:10.3389/fonc.2022.860508.
21. Pavlíková N. Caffeic acid and diseases—Mechanisms of action. Int J Mol Sci.
2022;24(1):588. doi:10.3390/ijms24010588.
22. Gulati M, Singh S, Kuppusamy G, Kapoor B, Mishra V, Gupta S, et al. Discovering
multifaceted role of vanillic acid beyond flavours: Nutraceutical and therapeutic potential.
Trends Food Sci Technol. 2022;122:10–23. doi:10.1016/j.tifs.2022.02.023.
23. Kakkar S, Bais S. A review on protocatechuic acid and its pharmacological potential. ISRN
Pharmacol. 2014;2014:952943. doi:10.1155/2014/952943.
24. Gupta B, Nayak S, Solanki S. Abroma augusta Linn f: a review. Der Pharmacia Sinica.
2011;2(4):253–261
25. Rahman AHMM. Ethno-gynecological study of traditional medicinal plants used by Santals
of Joypurhat district, Bangladesh. Biomed Biotechnol. 2014;2(1):10–13.

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Volume 03
[if 424 equals=”Regular Issue”]Issue[/if 424][if 424 equals=”Special Issue”]Special Issue[/if 424] [if 424 equals=”Conference”][/if 424] 02
Received 17/05/2025
Accepted 18/06/2025
Published 16/09/2025
Retracted
Publication Time 122 Days

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