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VOL. 10, ISSUE 2 (2026)
Comparative molecular docking study of selected phytochemicals from the genus Hygrophila for PCOD management
Authors
Nishvanth F, Nagavalli D
Abstract
Polycystic Ovarian
Disease (PCOD) is a complex endocrine disorder affecting millions of women
worldwide, characterized by hormonal imbalances, metabolic dysfunction, and
reproductive issues. Current therapeutic strategies often target symptoms,
highlighting the need for novel, effective, and safer interventions. This study
presents a comparative molecular docking analysis to evaluate the potential of
selected phytochemicals from the Hygrophila genus as
therapeutic agents for PCOD management. A comprehensive library of compounds
previously isolated and identified from various Hygrophila species
was screened against key protein targets implicated in PCOD pathogenesis, mainly
on androgen receptors, insulin receptors, and enzymes involved in
steroidogenesis. Molecular docking simulations were performed using a validated
protocol to assess binding affinities, interaction profiles, and predicted
inhibitory activities of the phytochemicals in comparison to known reference
drug such as metformin. The results indicate that several Hygrophila phytochemicals
exhibit promising binding interactions with high affinities for the targeted
proteins, suggesting their potential to modulate hormonal pathways and inhibit
the androgen action. This in silico investigation provides a foundation for
further in vitro and in vivo studies to validate the therapeutic
efficacy of these natural compounds in PCOD management.
Pages:50-60
How to cite this article:
Nishvanth F, Nagavalli D "Comparative molecular docking study of selected phytochemicals from the genus <i>Hygrophila</i> for PCOD management". International Journal of Chemical Science, Vol 10, Issue 2, 2026, Pages 50-60
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