Epithelial sensitizing property of fresh areca nut alkaloids
Authors/Creators
- 1. Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, Kaohsiung, Taiwan
- 2. Department of Molecular Microbiology, Madurai Kamaraj University, Madurai, India
- 3. Department of Biomedical Science and Environmental Biology, Kaohsiung Medical University, Kaohsiung, Taiwan
Description
Abstract
Background: Arecaidine, Arecoline, Guvacoline, and Guvacine are alkaloids from the fresh areca nuts. Areca nuts used to chew alone or with Betel-quid. In this in silico study we used computational predictive models to predict the sensitizing property via direct peptide reactivity assay (DPRA), human cell line activation test (h-CLAT) and KeratinoSensTM by using the Pred-Skin 2.0 web server were used to assess the sensitizing properties of areca alkaloids against epithelial cells and keratinocytes. Methods: Simplified molecular input line entry system (SMILES) based predictions were used in this study. The structure of the alkaloids were drawn by Marvin Sketch based on PubChem molecular data and compound structure were converted into the SMILES and assessed in Pred-Skin 2.0 web server.
Results: Based on the obtained results from web server all the areca alkaloids were predicted as sensitizers in the DPRA, h-CLAT,and KeratinoSensTM predictive model.
Conclusion: Computational approaches are useful to predict the health hazards of food additives, small molecules/drugs. Our study shows the health hazard of areca nut alkaloids to oral epithelia and keratinocytes.
