Systems pharmacology and computer-aided analysis of chamomile for predicting potential advantages and adverse effects.

Amir Zarrinhaghighi,1,* Bahareh moazen,2

1. Systems Pharmacology Research Group, Shiraz University of Medical Sciences
2. Systems Pharmacology Research Group, Shiraz University of Medical Sciences

Abstract


Introduction

Chamomile is the common name of daisy-like plants of the family asteraceae. matricaria chamomilla l. is the most common type of this plant. chamomile is used in traditional medicine in different countries such as traditional chinese medicine (tcm) and traditional iranian medicine (tim). chamomile has many usages in various medical conditions such as fever, inflammation, muscle spasm, menstrual disorders, insomnia, ulcer, wounds, gastrointestinal disorders, rheumatic pain, hemorrhoid, etc. however, further researches are necessary for confirmation of them. since many types of research are planned for this purpose. chamomile contains a wide range of compounds that to identify their advantages it is crucial to investigate more. however, the multiplicity of this compounds make it difficult. virtual screening and computational methods help us for making it more accessible. furthermore, network analysis and systems pharmacology are potent tools for this reason. so the present study was undertaken to identify properties of chamomile and possible toxic features of this plant.

Methods

In this research known compounds of chamomile were collected from dr. duke phytochemical and ethnobotanical databases (https://phytochem.nal.usda.gov). after that adme/tox and qsar properties of compounds analyzed by schrodinger (maestro) package. other possible pharmacologic properties are predicted by systems pharmacology approach by cytoscape and available networks from the reactome database (https://www.reactome.org) based on qsar data.

Results

Totally 152 compounds collected from dr. duke database for chamomile. analysis of compounds shows potential usages and possible adverse effects of chamomile by molecular and systems pharmacological approach.

Conclusion

This study introduces a new method for finding better sight in experimental studies and help us to walk to the right path for clinical trials on medicinal plants.

Keywords

Chamomile, matricaria chamomilla l., systems pharmacology, virtual screening