Summary of - Integrated LC-MS/MS and network pharmacology approach for predicting active ingredients and pharmacological mechanisms of Tribulus terrestris L. against cardiac diseases
Document Type
Article
Abstract
Background: Tribulus terrestris L. (Gokshura) is a medicinal herb used for treating cardiac diseases and several other diseases. However, the active ingredients and the possible mechanism of action for treating cardiac diseases remain unclear.
Aim of the study: The study was designed to identify the active ingredients and to explore the potential mechanism of action of Tribulus terrestris L. for treating cardiac diseases by an integrated approach of metabolomics and network pharmacology.
Methods
- HPLC-QTOF-MS/MS analysis to identify putative compounds and network pharmacology approach for predictive key targets and pathways.
- Molecular docking and dynamics simulation was performed to identify the active ingredients in Tribulus terrestris L. that can act as putative lead compounds to treat cardiac diseases.
Results and Discussion
- A total of 55 putative compounds were identified using methanolic extract of Tribulus terrestris L. using HPLC-QTOF-MS/MS analysis.
- Network pharmacology analysis predicted 32 human protein targets from 25 secondary metabolites, which have shown direct interaction with cardiac diseases.
- Based on the degrees of interaction, the hub targets such as TACR1, F2, F2R, ADRA1B, CHRM5, ADRA1A, ADRA1D, HTR2B, and AVPR1A were identified.
- In silico molecular docking and simulation resulted in the identification of active ingredients such as Kaempferol 3-rutinoside 7-glucuronide, Keioside, rutin, moupinamide, aurantiamide, quercetin-3-o-α-rhamnoside, tribuloside, and 3ˈˈ,6ˈˈ- Di-O-p-coumaroyltrifolin against hub protein targets.
Conclusion
The identified potential lead compounds of Tribulus terrestris L. can act as promising drug candidates to treat cardiac diseases.
Citation to the base paper: Vinay, C. M., Mehta, C. H., Bhat, C., Kamath, A., B Joshi, M., Paul, B., ... & Rai, P. S. (2023). Integrated LC-MS/MS and network pharmacology approach for predictingactive ingredients and pharmacological mechanisms of Tribulus terrestris L. against cardiac diseases. Journal of Biomolecular Structure and Dynamics, 41(21), 11930-11945.
Publication Date
2023
Publication Date
2023
Recommended Citation
Vinay, Chigateri M; Hasmukh Mehta, Chetan; Bhat, Chandrakanth; Kamath, Archana; B Joshi, Manjunath; Paul, Bobby; Yogendra Nayak, Usha; and S Rai, Padmalatha, "Summary of - Integrated LC-MS/MS and network pharmacology approach for predicting active ingredients and pharmacological mechanisms of Tribulus terrestris L. against cardiac diseases" (2023). Open Access archive. 9561.
https://impressions.manipal.edu/open-access-archive/9561
