Published in Volume 3, Issue 1
Polycystic Ovary Syndrome (PCOS) is a complex endocrine disorder requiring effective treatment. Current therapies have limitations, prompting the search for natural alternatives. Pilliostigma thonningii's potential as a phytoestrogenic agent for PCOS management needs investigation due to its traditional use and promising bioactive compounds. This study investigated the phytoestrogenic potential of Pilliostigma thonningii (PT) in Polycystic Ovary Syndrome (PCOS) using a combination of molecular docking, molecular dynamics simulation, network pharmacology, ADMET, and in vivo validation. The results showed that PT phytochemicals, such as 6-C-Methylquercetin 3-methyl ether, exhibited strong binding affinities to human placental aromatase, comparable to Letrozole. Molecular dynamics simulation confirmed the stability of the protein-ligand complex, and ADMET analysis revealed favorable pharmacokinetic profiles. In vivo studies demonstrated that the ethanol leaf extract of PT significantly increased progesterone levels in rats with letrozole-induced PCOS, without affecting luteinizing hormone levels. These findings suggest that PT phytochemicals may be potential multi-targeted candidates for PCOS treatment through estrogen receptor modulation and steroid biosynthesis regulation. The study's results were statistically significant, and the approach used provides a comprehensive understanding of the molecular mechanisms underlying PT's phytoestrogenic activity. Overall, this research highlights the potential of PT as a natural therapeutic agent for PCOS management..
Dasofunjo, K., Onwu, D. O., Ati, B. U., Mayowa, A., Okputu, J. J., Bassey, O. J., Ifeoluwa, D. O. (2025). Investigating Piliostigma thonningii's Phytoestrogenic Properties for PCOS Treatment using Molecular Dynamics Simulation. Tropical Journal of Applied Natural Sciences, Volume 3, Issue 1, 77.
Dasofunjo, K., Onwu, D. O., Ati, B. U., Mayowa, A., Okputu, J. J., Bassey, O. J., Ifeoluwa, D. O.. "Investigating Piliostigma thonningii's Phytoestrogenic Properties for PCOS Treatment using Molecular Dynamics Simulation." Tropical Journal of Applied Natural Sciences, vol. Volume 3, Issue 1, 2025, pp. 77.
Dasofunjo, K., Onwu, D. O., Ati, B. U., Mayowa, A., Okputu, J. J., Bassey, O. J., Ifeoluwa, D. O.. "Investigating Piliostigma thonningii's Phytoestrogenic Properties for PCOS Treatment using Molecular Dynamics Simulation." Tropical Journal of Applied Natural Sciences Volume 3, Issue 1 (2025): 77.
@article{investigatingpiliostigmathonningii'sphytoestrogenicpropertiesforpcostreatmentusingmoleculardynamicssimulation2025,
author = Dasofunjo, K., Onwu, D. O., Ati, B. U., Mayowa, A., Okputu, J. J., Bassey, O. J., Ifeoluwa, D. O.,
title = Investigating Piliostigma thonningii's Phytoestrogenic Properties for PCOS Treatment using Molecular Dynamics Simulation,
journal = Tropical Journal of Applied Natural Sciences,
year = 2025,
volume = Volume 3, Issue 1,
pages = 77
}
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