Bioinformatics and computational chemistry approaches to explore the mechanism of the anti-depressive effect of ligustilide.
Depression can lead to negative outcomes, and antidepressants can cause side effects. Ligustilide (LIG), a component in angelica sinensis, has been used to treat depression with fewer side effects. This study found that LIG interacts with multiple targets, including AKT1, MAPK14, and ESR1, and the pathways of PI3K/AKT and MAPK, to exert an anti-depressive effect. Molecular docking and dynamics simulations supported these findings. This study presents a new strategy to explore the molecular mechanisms of LIG in treating depression.
- Zhang K et al (2023).
- Sci Rep.
- PubMed:
- 37012370