Exploring the Antidiabetic Potential of Achyranthes aspera: Bioactive Compound Extraction, In vitro Efficacy, and In silico Insights for Glycemic Control

for safer and more efficacious therapy approaches. Medicinal herbs remain a significant source of bioactive
compounds with potential antidiabetic effects. Achyranthes aspera has historically been utilized in traditional
medicine for the treatment of metabolic disorders; however, its mechanisms of action remain poorly elucidated.
This work sought to assess the antidiabetic efficacy of A. aspera using a combined experimental and computational
approach, emphasizing its capacity to inhibit key carbohydrate-digesting enzymes and enhance
cellular glucose uptake.
Methods: An aqueous extract derived from the leaves of A. aspera was examined for its phytochemical constituents
and antioxidant efficacy. In vitro studies were conducted to evaluate its inhibitory effects on α-
amylase, α-glucosidase, and Dipeptidase-4 (DPP-4), as well as its cytotoxicity and glucose absorption activity
in L6 myotube cells. The extract’s chemical profile was characterized by Liquid Chromatography–Mass Spectrometry
(LC–MS). Molecular docking and 100-nanosecond molecular dynamics simulations were performed
to assess the interactions and stability of the discovered compounds within the active sites of the target enzymes.
Results: The extract exhibited significant levels of phenolic compounds (2.4 ± 0.32 mg GAE/g) and flavonoids
(1.18 ± 0.12 mg QE/g), which correlated with robust antioxidant activity. The extract exhibited strong
inhibitory effects on α-amylase, α-glucosidase, and DPP-4, with some samples demonstrating activity equal to
or exceeding that of conventional reference medications. The extract exhibited no cytotoxicity in L6 myotubes
and dramatically increased glucose absorption in a dose-dependent manner. LC–MS analysis identified multiple
bioactive constituents, while computational studies validated their stable binding interactions with critical
enzymatic targets, corroborating the observed biological effects.
The results demonstrate that A. aspera has antidiabetic properties via multiple mechanisms, including the
inhibition of carbohydrate-metabolizing enzymes and the enhancement of cellular glucose uptake. These
findings corroborate its historical use in diabetes therapy and suggest that it may serve as a viable source of
antidiabetic phytochemicals. The computer research provided mechanistic insight into the molecular connections
underlying these effects. Nonetheless, the current work is confined to in vitro and in silico analyses.
Subsequent research should focus on isolating specific active molecules and verifying their efficacy and safety
in in vivo models to ascertain their medicinal potential.
Discussion: The study demonstrates that Achyranthes aspera exhibits multi-target antidiabetic activity
through enzyme inhibition, DPP-4 modulation, and enhanced glucose uptake. These effects are supported by
its phenolic-rich composition and validated by in silico binding interactions. However, further in vivo studies
are required to confirm its therapeutic potential.
Conclusion: These results confirm that Achyranthes aspera is a potent, multifunctional agent for glycaemic
regulation, warranting further investigation for its development into functional food products or as
an adjunctive diabetic therapy.

Ibrahim Mahmood Mahdi

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