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Published:
Jun 12, 2023Keywords:
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Main Article Content
Determination of allyl isothiocyanate from Hedyotis herbacea and its in silico screening for wound healing activity
Abstract
Purpose: To determine the bio-active constituents from the chloroform leaf extract of Hedyotis herbacea, and the wound healing activity of its phytoconstituents.
Methods: A gas chromatographic-mass spectrophotometer (GC-MS) was used to isolate and characterize the plant’s chloroform extract. In order to verify the effectiveness of the isolated allyl isothiocyanate, it was docked with key enzymes needed for the healing process of wounds, such as p50 NF-κB, Interleukin-6 (IL-6), COX-2, TNF-α, Interleukin-1β, MMP-9, FGF-2, FGF2/FGF2-FGFR1, IGF1R, and TGF-β1 by using AUTODOCK VINA.
Results: The GC-MS isolated and identified 425 compounds in the screened extract, out of which 29 compounds were shown to have significant pharmacological activity. The allyl isothiocyanate compound present in the extract was shown to have the ability to repair skin damage. In silico analysis revealed that allyl isothiocyanate interacts efficiently with the active site of residues of amino acids found in the crucial proteins which are involved in wound healing process.
Conclusion: Hedyotis herbacea contains allyl isothiocyanate, which has wound-healing properties. Other unexplored phytocompounds in the extract might also contribute to the wound-healing activity of the plant. This should be further evaluated in order to access more wound-healing properties of the plant.
