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Title

Molecular docking analysis of shatavarins with female hormonal receptors

 

Authors

Neelima Arora1#* & Amit Kumar Banerjee2#

 

Affiliation

1Department of Biotechnology, Institute of Science, Jawaharlal Nehru Technological University-Hyderabad, Kukatpally, Hyderabad -500085, Telangana State, India. 2Biology Division, CSIR-Indian Institue of Chemical Technology, Uppal Road, Tarnaka, Hyderabad-500007, Telangana State, India. *Corresponding author; #Equal contribution.

 

Email

Neelima Arora - Email: neelimaiict@gmail.com

Amit Kumar Banerjee - Email: amitk_b@yahoo.co.in

 

Article Type

Research Article

 

Date

Received July 1, 2024; Revised July 31, 2024; Accepted July 31, 2024, Published July 31, 2024

 

Abstract

Shatavari (Asparagus racemosus) has been used for female health problems since ancient times and is useful for treating various female reproductive problems including menopausal problems, hormonal imbalance, lactation, menstrual issues, and others. Shatavarins, the primary phytoconstituents of Shatavari, have high molecular weights and may interact with hormone receptors. We have conducted a molecular docking analysis for different Shatavarins such as Shatavarin I, Shatavarin IV, Shatavarin VI, Shatavarin VII, Shatavarin VIII, Shatavarin IX, and Shatavarin X with different hormonal receptors such as estrogen alpha, beta, and gamma receptor, progesterone receptor, FSH, and LH receptors. The best docking conformations with the highest docking scores, specific interactions and bond formations, and the most important residues of the receptors were identified and reported. The study was successful in providing an initial comparative insight into the binding efficiencies of the Shatavarins for different female hormonal receptors.

 

Keywords

Shatavari, shatavarins, shatavarin I, shatavarin IV, hormonal receptor, ayurveda, alternative medicine

 

Citation

Arora & Banerjee, Bioinformation 20(7): 775-780 (2024)

 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.