An Integrative In Silico Mathematical Modelling Study of The Anti-Cancer Effect of Clove Extract (Syzygium aromaticum) Combined With In Vitro Metabolomics Study Using 1HNMR Spectroscopy

Author(s):

Mehri Azadi , Fatemeh Alemi , Sedigheh Sadeghi , Maryam Mohammadi , Nowrooz Ali Rahimi , Sako Mirzaie , Farideh Vahabi , Shirin Parvaz , Mohammad Arjmand , Zahra Zamani *

Message:
Article Type:
Research/Original Article (دارای رتبه معتبر)
Abstract:
Background

Clove oil is known for its medicinal properties. The mechanism of anti-cancer properties of Syzygium aromaticum were investigated by mathematical modelling on the genome scale with metabolomics using 1H Nuclear Magnetic Resonance spectroscopy on Raji cells.

Objectives

An integrative analysis correlated the metabolites identified by 1HNMR and genes with the detected pathways.

Materials and Methods

Raji cells treated with clove oil were collected and sent for 1HNMR spectroscopy and the spectra analyzed by MATLAB and Human Metabolome Database for metabolite identification. Pathway and topology analysis was implemented using the genes and metabolites in the integrative analysis of Metaboanalyst software.

Results

50% inhibitory concentration of clove oil was 50 μg/ml and the model anticipated 74 genes with differentiating metabolites being some amino acids, cholesterol and fucose.

Conclusions

The integrative study predicted that the anti cancer mechanism of clove oil involves novel enzymes, as likely drug targets, 24-dehydrocholesterol reductase and 7-dehydrocholesterol reductase in cholesterol biosynthesis, dehydrofolate reductase in one carbon metabolism and serine palmitoyl-transferase long chain in sphingolipid biosynthesis.

Keywords:

genes , pathways , In silico mathematical model , methanol clove extract , Raji cells

Language:
English
Published:
Iranian Journal of Biotechnology, Volume:18 Issue: 3, Summer 2020
Pages:
45 to 54
https://magiran.com/p2201496  
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