Electron-Shuttling Characteristics of Cassia obtusifolia Seed Extracts and Antiviral Activities of Anthraquinone Compounds Through In Silico Studies

Abstract

Previous studies have linked the electron-shuttling properties of Traditional Chinese Medicine (TCM) species to antiviral efficacy. This study explores the antiviral potential of Cassia obtusifolia seeds through electrochemical analyses using microbial fuel cells (MFCs) and cyclic voltammetry (CV) complemented by in silico methods. The phytochemical contents and antioxidant activity of Cassia seed extracts were assessed and correlated with bioenergy generation and electrochemical stability. A principal component analysis (PCA) indicated that phytochemical and antioxidant activity influence Cassia's power-generating potential. The MFC study revealed a 1.87-fold power amplification in unprocessed Cassia seed water extract (CTS-W), while CV analysis demonstrated enhanced electrochemical stability and reversibility due to the presence of electron-shuttling (ES) species. In silico analyses, including network pharmacology and molecular docking, provided supporting evidence for the antiviral potential of bioactive metabolites in Cassia seeds, particularly in targeting Hepatitis B virus-related genes. Furthermore, a mathematical model highlighted the superior therapeutic efficacy of electron-shuttling (ES) species compared to antioxidants in disease treatment. These findings demonstrate a strong correlation between the electron-shuttling properties and the antiviral potential of C. obtusifolia seed extracts, suggesting that bioenergy-mediated mechanisms may play a crucial role in the development of effective antiviral therapies.