none 10.31254/phyto.2025.14502 BioMed Research Publishers BioMed Research Publishers 16195 187186473 316921 20251216133144430 10.31254 2025-12-16T13:31:47Z 2025-12-16T13:31:46Z 0 The Journal of Phytopharmacology J Phytopharmacol 2320480X 10.31254/phyto https://www.phytopharmajournal.com/ 11 30 2025 14 5 K Priya Kumar. P Senthil V.S Anisha M.R. Srinivasan S Sakthikarthikeyan Suresh Kumar V Background: Amaranthus polygonoides L., commonly known as "Sirukeerai," is a widely cultivated leafy vegetable in Tamil Nadu, valued for its rapid growth and rich nutritional content. This study investigates the plant's chemical composition using proximate and phytochemical analysis, alongside GC-MS for identifying volatile and semi-volatile compounds. Computational tools like SwissADME and ProTox 3.0 are employed to evaluate the pharmacokinetics and safety profiles of these compounds. Given the key role of GnRH and FSH in bovine reproduction, molecular docking is used to explore the interaction of identified compounds with their respective receptors. The research aims to uncover the plant's potential influence on reproductive health in cattle. Objective: To evaluate the nutritional, phytochemical, pharmacokinetic, and molecular docking properties of Amaranthus polygonoides leaves to explore their potential influence on reproductive functions in cattle. Materials and Methods: Amaranthus polygonoides was collected, authenticated, and its dried leaves powdered for analysis. Proximate composition was determined using standard AOAC methods. Methanolic extracts underwent preliminary phytochemical screening and GC-MS analysis to identify bioactive compounds. SwissADME and ProTox-3.0 were used to assess pharmacokinetic and toxicity profiles. Three selected compounds were docked with Gonadotropin-releasing hormone (GnRH) and Follicle-stimulating hormone (FSH) receptors using the PrankWeb tool. Results: The leaf powder contained 8.89% moisture, 24.47% crude protein, 8.34% crude fibre, 2.77% ether extract, 13.01% total ash, and 2.10% acid-insoluble ash, with calcium (1.99%), phosphorus (0.51%), salt (2.21%), and a gross energy of 3678 kcal/kg. GC-MS identified ten compounds, of which three—Citronellyl propionate; Benzene, 1-methyl-4-[[3-methyl-2-[[4-methyl-3-(1-methylethyl)-2-pentenyl]oxy]-2-butenyl]sulfonyl]-; and Trans-2-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrienyl]cyclopropanecarboxylic acid showed favourable ADME properties. Docking revealed stable binding energies with GnRH (-5.968 to -7.146 kcal/mol) and FSH receptors (-5.945 to -7.44 kcal/mol), with the sulfonylated benzene derivative exhibiting the strongest and most stable interactions. Conclusion: Amaranthus polygonoides demonstrates promising nutritional and bioactive potential. Particularly, the sulfonylated benzene compound shows potential in modulating bovine reproductive hormones, warranting further investigation. 11 30 2025 309 319 1 10.31254/biomed-crossmark-policy www.biomedresearch.org false 10.31254/phyto.2025.14502 https://phytopharmajournal.com/articles/abstracts/841/year=2025&vol=14&issue=5