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Piperine's potential in treating polycystic ovarian syndrome explored through in-silico docking.
Francis, Rahul; Kalyanaraman, Ramanathan; Boominathan, Vasuki; Parthasarathy, Sudharsan; Chavaan, Ashajyothi; Ansari, Irfan Aamer; Ansari, Siddique Akber; Alkahtani, Hamad M; Chandran, Janani; Tharumasivam, Siva Vijayakumar.
Afiliación
  • Francis R; Department of Biotechnology, Srimad Andavan Arts and Science College (Autonomous), Affiliated to Bharathidasan University, Tiruchirappalli, Tamil Nadu, India.
  • Kalyanaraman R; Department of Biotechnology, Srimad Andavan Arts and Science College (Autonomous), Affiliated to Bharathidasan University, Tiruchirappalli, Tamil Nadu, India.
  • Boominathan V; Department of Biotechnology, Srimad Andavan Arts and Science College (Autonomous), Affiliated to Bharathidasan University, Tiruchirappalli, Tamil Nadu, India.
  • Parthasarathy S; Department of Forestry, Nagaland University (A Central University), Lumami, Nagaland, India.
  • Chavaan A; Department of Studies in Biotechnology, Vijayanagar Sri Krishnadevarya University, Ballari, Karnataka, 583-105, India.
  • Ansari IA; Department of Drug Science and Technology, University of Turin, 10125, Turin, Italy.
  • Ansari SA; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O Box 2457, 11451, Riyadh, Saudi Arabia. sansari@ksu.edu.sa.
  • Alkahtani HM; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O Box 2457, 11451, Riyadh, Saudi Arabia.
  • Chandran J; Department of Biotechnology, Srimad Andavan Arts and Science College (Autonomous), Affiliated to Bharathidasan University, Tiruchirappalli, Tamil Nadu, India.
  • Tharumasivam SV; Department of Biotechnology, Srimad Andavan Arts and Science College (Autonomous), Affiliated to Bharathidasan University, Tiruchirappalli, Tamil Nadu, India. sivavijayakumart.set@dsuniversity.ac.in.
Sci Rep ; 14(1): 21834, 2024 09 18.
Article en En | MEDLINE | ID: mdl-39294254
ABSTRACT
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.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Piperidinas / Síndrome del Ovario Poliquístico / Alcaloides / Benzodioxoles / Alcamidas Poliinsaturadas / Simulación del Acoplamiento Molecular Límite: Female / Humans Idioma: En Revista: Sci Rep Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Piperidinas / Síndrome del Ovario Poliquístico / Alcaloides / Benzodioxoles / Alcamidas Poliinsaturadas / Simulación del Acoplamiento Molecular Límite: Female / Humans Idioma: En Revista: Sci Rep Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido