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The Thai Journal of Pharmaceutical Sciences

Abstract

Liver plays important roles in metabolism of harmful xenobiotics. Prolonged exposure to chemicals, daily dietary supplements, or pharmaceutical drugs may cause liver damage or hepatotoxicity. Acetaminophen is a well-known pharmaceutical drug causing hepatotoxicity through generation of reactive metabolite called N-acetyl-p-benzoquinone imine through Cytochrome P450 2E1 (CYP2E1) metabolism. In the present study, we intended to predict the possible hepatoprotective properties of red betel (Piper crocatum) leaves. Quantitative structure activity relationship (QSAR) was used to predict the antioxidant and anti-inflammatory potential of major compounds of red betel, namely, eugenol, isoeugenol, chavibetol, hydroxychavicol, and allylpyrocatechol. Molecular docking was performed to analyze binding mode of the compounds toward CYP2E1 protein. Network analysis using Search Tool for the Retrieval of Interacting Genes was performed to determine pathways affected by CYP2E1. QSAR prediction shows that these compounds had moderate probability as antioxidant and anti-inflammatory agents. All of the docked compounds occupied the active site of the protein. Allylpyrocatechol and Hydroxychavicol had higher calculated binding affinity than indazole known as CYP2E1 inhibitor. CYP2E1 inhibition will probably reduce liver inflammation, as it is related to many inflammatory pathways. Based on QSAR, molecular docking, and network analysis, active compounds contain in red betel leaves had hepatoprotective property through inhibition of inflammatory pathway related to CYP2E1.

Publisher

Faculty of Pharmaceutical Sciences, Chulalongkorn University

First Page

273

Last Page

276

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