Piperine’s potential in treating polycystic ovarian syndrome explored through in-silico docking

Polycystic Ovarian Syndrome (PCOS) is a multifaceted metabolic and hormonal condition that impacts women in their procreative ages, identified by ovarian dysfunction, hyperandrogenaemia overweight and insulin insensitivity. The piperine, an important alkaloid compound of black pepper has shown promi...

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Bibliographic Details
Published in:	Scientific reports Vol. 14; no. 1; pp. 21834 - 15
Main Authors:	Francis, Rahul, Kalyanaraman, Ramanathan, Boominathan, Vasuki, Parthasarathy, Sudharsan, Chavaan, Ashajyothi, Ansari, Irfan Aamer, Ansari, Siddique Akber, Alkahtani, Hamad M, Chandran, Janani, Tharumasivam, Siva Vijayakumar
Format:	Journal Article
Language:	English
Published:	London Nature Publishing Group UK 18-09-2024 Nature Publishing Group Nature Portfolio
Subjects:	631/114/1314 631/114/2248 631/114/2391 631/114/2397 Alkaloids - pharmacology Alkaloids - therapeutic use Benzodioxoles - pharmacology Benzodioxoles - therapeutic use Computer applications Computer Simulation Docking studies Endocrine disorders Female H6PD Humanities and Social Sciences Humans In-silico Molecular Docking Simulation multidisciplinary Oligomenorrhea Ovaries PCOS Peroxisome proliferator-activated receptors Pharmacology Piperidines - pharmacology Piperidines - therapeutic use Piperine Polycystic ovary syndrome Polycystic Ovary Syndrome - drug therapy Polycystic Ovary Syndrome - metabolism Polyunsaturated Alkamides - metabolism Polyunsaturated Alkamides - pharmacology PPARG Science Science (multidisciplinary) Docking studies PCOS PPARG Piperine In-silico H6PD
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Summary:	Polycystic Ovarian Syndrome (PCOS) is a multifaceted metabolic and hormonal condition that impacts women in their procreative ages, identified by ovarian dysfunction, hyperandrogenaemia overweight and insulin insensitivity. The piperine, an important alkaloid compound of black pepper has shown promise in modulating various physiological processes. In this work, employed computational docking studies to explore the potential of piperine as a treatment for PCOS. Utilizing computational methods, we analyzed the binding interactions between piperine and key molecular targets implicated in PCOS pathogenesis, including hyperandrogenism, and “oligomenorrhea. The network pharmacology analysis report found 988 PCOS-related genes, 108 hyperandrogenism-related genes, and 377 oligomenorrhea-related genes, and we finally shortlisted 5 common genes in PCOS, hyperandrogenism, and “oligomenorrhea”: NR3C1, PPARG, FOS, CYP17A1, and H6PD. Our results reveal favorable binding affinities with PPARG (-8.34 Kcal/mol) and H6PD (-8.70 Kcal/mol) and interaction patterns, suggesting the potential of piperine to modulate these targets. Moreover, the reliability of the piperine-target interactions was revealed by molecular simulations studies. These findings support further experimental investigations to validate the therapeutic efficacy of piperine in PCOS management. The integration of computational approaches with experimental studies has the potential to lay the groundwork for the creation of new therapies specifically targeting PCOS and related endocrine disorders.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	2045-2322 2045-2322
DOI:	10.1038/s41598-024-72800-6