Published online Dec 22, 2023. doi: 10.5497/wjp.v12.i4.35
Peer-review started: August 28, 2023
First decision: September 19, 2023
Revised: October 12, 2023
Accepted: November 24, 2023
Article in press: November 24, 2023
Published online: December 22, 2023
Processing time: 110 Days and 16.7 Hours
In the realm of medicinal chemistry, isothiocyanates are characterized by the -N=C=S functional group, which results from substituting the oxygen atom in the isocyanate group with sulfur. These compounds are predominantly found in plants and arise from the enzymatic conversion of metabolites, specifically glucosinolates. Notably, numerous plant-derived isothiocyanates have demonstrated anticarcinogenic properties. Their mechanism of action involves inhibiting the activation of carcinogens and bolstering their detoxification processes.
Our motivation to undertake this study stemmed from the noticeable lack of extensive literature regarding isothiocyanates in food sources. While some health research has touched upon the use of isothiocyanates, comprehensive investigations into their potential benefits remain limited. Consequently, we embarked on an in-depth in silico study of isothiocyanates to assess their preliminary therapeutic properties.
To investigate the composition of fruits, seeds, and jam derived from the scrambling shrub Capparis cartilaginea (C. cartilaginea) utilizing gas chromatography-mass spectrometry (GC-MS) analysis, and to conduct an in silico examination of the biological activity associated with the isolated isothiocyanates.
For our investigation, we employed the following methods: GC/MS analysis: This technique allowed us to accurately identify and quantify the volatile components present in the samples from the scrambling shrub C. cartilaginea; PASS computer program: We utilized the PASS software, which boasts a comprehensive database of over one million natural and synthetic compounds, paired with more than 10000 documented biological activities. As per data from its official website, this German-developed program is a popular tool among the scientific community, with over 26000 researchers from 34 different countries using it on an annual basis.
Our investigation revealed that isothiocyanates exhibit a significant anticancer potential. Additionally, these compounds display other potential biological activities, including antiviral, antibacterial, and antifungal properties.
The findings from our investigation are promising. We identified the presence of isothiocyanates in jams, seeds, and fruits, which demonstrated potential anti-cancer properties. Nevertheless, further in vitro and in vivo studies are essential to validate these preliminary results.
Moving forward, the intention is to conduct more in-depth GC/MS and PASS in silico analyses on individual isothiocyanates extracted from jams, seeds, and fruits of the Capparis genus. This will provide a clearer understanding of the properties and potential therapeutic applications of these compounds.