The Journal of Phytopharmacology 2025; 14(5):309-319 ; DOI:10.31254/phyto.2025.14502
GC–MS characterization and in silico evaluation of the reproductive bioactivity of Amaranthus polygonoides L. (Amaranthaceae) in bovines
Priya K1 , Senthil Kumar. P2 , Anisha. V.S3 , Srinivasan M.R.4 , Sakthikarthikeyan S1 , Suresh Kumar V5
1. Assistant Professor, Department of Veterinary Pharmacology and Toxicology, Veterinary College and Research Institute, TANUVAS, Tirunelveli- 627358, Tamil Nadu, India
2. Professor, Department of Veterinary Pharmacology and Toxicology, Veterinary College and Research Institute, TANUVAS, Thanjavur- 614625, Tamil Nadu, India
3. Project Assistant, DBT Scheme on Phytosomes, Department of Veterinary Pharmacology and Toxicology, Veterinary College and Research Institute, TANUVAS, Thanjavur- 614625, Tamil Nadu, India
4. Assistant Professor, Veterinary Clinical Complex, Veterinary College and Research Institute, TANUVAS, Tirunelveli- 627358, Tamil Nadu, India
5. Professor & Head, Department of Veterinary Pharmacology and Toxicology, Veterinary College and Research Institute, TANUVAS, Tirunelveli- 627358, Tamil Nadu, India
*Author to whom correspondence should be addressed.
Received: 6th July, 2025 / Accepted: 3rd October, 2025 / Published : 30th November, 2025
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.
Amaranthus polygonoides, Phytochemicals, Molecular Docking Simulation, Gonadotropin-Releasing Hormone, Follicle Stimulating Hormone, Pharmacokinetics
HOW TO CITE THIS ARTICLE
Priya K, Senthil Kumar P, Anisha VS, Srinivasan MR, Sakthikarthikeyan S, Suresh Kumar V. GC–MS characterization and in silico evaluation of the reproductive bioactivity of Amaranthus polygonoides L. (Amaranthaceae) in bovines. J Phytopharmacol 2025; 14(5):309-319. doi: 10.31254/phyto.2025.14502
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