Elucidating the Molecular Mechanisms of Vitex negundo L. in Polycystic Ovary Syndrome via Metabolomics-Driven Network Pharmacology
Abstract
ABSTRACT Polycystic ovary syndrome (PCOS) is a hormonal disorder marked by irregular menstrual cycles, elevated androgen levels, ovarian cysts, hirsutism, acne and other symptoms. While conventional medications such as Metformin and Spironolactone are commonly prescribed, they are often associated with undesirable side effects. As a result, there is growing interest in alternative treatments, particularly those involving medicinal plants. Vitex negundo L., a member of the Lamiaceae family, has demonstrated promising therapeutic effects against PCOS. However, its precise molecular mechanism of action remains unclear. To explore this, we conducted an untargeted metabolomics analysis using UPLC‐MS/MS to identify bioactive compounds, followed by network pharmacology to elucidate potential mechanisms. Metabolite fingerprinting revealed 186 metabolites, among which 122 were identified as secondary metabolites. Network pharmacology analysis uncovered 910 potential targets associated with the identified compounds and 297 known PCOS‐related disease targets, with 50 overlapping targets between the two datasets. Key hub targets identified included P53, ESR1, AKT1, STAT3, CTNNB1, ERBB2, BCL2, EGFR, MTOR and IL6. Furthermore, molecular docking highlighted several bioactive constituents—syringin, 4‐(3,4‐dihydroxyphenyl)‐6,7‐dihydroxynaphthalene‐2‐carboxylic acid, and Isovitexin—as potential lead compounds for PCOS treatment. Further evaluation of lead compounds can be conducted through in…
Read the paper
Related studies
- Metformin as an adjuvant in breast cancer treatment
- Metformin Lysosomal Targeting: A Novel Aspect to Be Investigated for Metformin Repurposing in Neurodegenerative Diseases?
- Aberrant HSF1 signaling activation underlies metformin amelioration of myocardial infarction in mice
- Metformin induces ZFP36 by mTORC1 inhibition in cervical cancer-derived cell lines
- Protein Interaction Network for Identifying Vascular Response of Metformin (Oral Antidiabetic)
- Preventing Long COVID With Metformin
Go deeper in Evidence Hub
Evidence Hub adds a study data sheet (design, sample size, evidence level, key numbers), an AI summary and a chat grounded in the paper's text.