Molecular Docking of Abroma augusta Phytocompounds Against Estrogen Receptor Alpha (Er-Α) for the Treatment of Menstrual Disorders

Year : 2025 | Volume : 03 | Issue : 02 | Page :
    By

    Sanjana V. Rao,

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

Abstract

Menstrual disorders, including dysmenorrhea (painful menstruation), amenorrhea (absence of menstruation), and irregular menstrual cycles, significantly impact women’s 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 A. 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.

Keywords: Menstrual disorders, Abroma augusta, estrogen receptor alpha (ER-α), molecular docking

[This article belongs to International Journal of Molecular Biotechnological Research ]

How to cite this article:
Sanjana V. Rao. Molecular Docking of Abroma augusta Phytocompounds Against Estrogen Receptor Alpha (Er-Α) for the Treatment of Menstrual Disorders. International Journal of Molecular Biotechnological Research. 2025; 03(02):-.
How to cite this URL:
Sanjana V. Rao. Molecular Docking of Abroma augusta Phytocompounds Against Estrogen Receptor Alpha (Er-Α) for the Treatment of Menstrual Disorders. International Journal of Molecular Biotechnological Research. 2025; 03(02):-. Available from: https://journals.stmjournals.com/ijmbr/article=2025/view=238372


References

  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. WJPMR. 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.

 

 

  1. 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.
  2. 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.
  3. 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.
  4. 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.
  5. 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.
  6. 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.
  7. 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.
  8. 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.
  9. 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.
  10. Pavlíková N. Caffeic acid and diseases—Mechanisms of action. Int J Mol Sci. 2022;24(1):588. doi:10.3390/ijms24010588.
  11. 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.
  12. Kakkar S, Bais S. A review on protocatechuic acid and its pharmacological potential. ISRN Pharmacol. 2014;2014:952943. doi:10.1155/2014/952943.
  13. Gupta B, Nayak S, Solanki S. Abroma augusta Linn f: A review. Der Pharmacia Sinica. 2011;2(4):253–261
  14. Rahman AHMM. Ethno-gynecological study of traditional medicinal plants used by Santals of Joypurhat district, Bangladesh. Biomed Biotechnol. 2014;2(1):10–13.
Regular Issue Subscription Original Research
Volume 03
Issue 02
Received 17/05/2025
Accepted 18/06/2025
Published 16/09/2025
Publication Time 122 Days
36

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