Pulse Brain · Growing Health Evidence Index
Peer-reviewed

Daidzein attenuates inflammation and pain via TRPV1/ERK/COX-2 pathway modulation: insights from computational and in vivo studies

Ashraf Ullah Khan; Mehreen Afridi; Abbas Iqbal; Muhammad Zubair; Danyal Khan; Haroon Afridi; Amir Zeb

PHYTONutrients · 2025

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Summary

The animal and computational studies were conducted to elucidate the anti-inflammatory and analgesic potential of the Daidzein (isoflavone in nature). The molecular docking of the Daidzein was commenced against the inflammatory and analgesic targets i.e., COX-2 (Cyclooxygenase-2), ERK (Extracelluar receptor kinase), and TRPV1 (Transient receptor Potential Vanilloid 1) protein. The molecular docking was followed by the molecular dynamic (MD) simulation assess the dynamic stability of the complexes over time. Following MD simulation, the binding free energy calculations were conducted to determine the thermodynamic binding affinity. After the computational studies, the results were validated using the acetic acid-induced writhing and formalin-induced models. The molecular docking of the Daid

Source type
Peer-reviewed study
DOI
10.62368/pn.v4i1.52
Catalogue ID
NRmo3d4gae-0e8
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