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Volume 13
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10.3390/pr13020458
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Article

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

by
Stephanie Claire M. Tiongson
1,†,
Bor-Yann Chen
2,†,
Kathlia A. De Castro-Cruz
1,
Chung-Chuan Hsueh
2,
Yeh Lien
3 and
Po-Wei Tsai
4,*
1
School of Chemical, Biological, and Materials Engineering and Sciences, Mapúa University, Metro Manila 1002, Philippines
2
Department of Chemical and Materials Engineering, National I-Lan University, I-Lan 260, Taiwan
3
Department of Medical Science Industries, College of Health Sciences, Chang Jung Christian University, Tainan 711, Taiwan
4
Department of Food Science, National Taiwan Ocean University, Keelung 202, Taiwan
*
Author to whom correspondence should be addressed.
†
These authors contributed equally to this work.
Processes 2025, 13(2), 458; https://doi.org/10.3390/pr13020458
Submission received: 2 December 2024 / Revised: 3 February 2025 / Accepted: 4 February 2025 / Published: 8 February 2025
(This article belongs to the Special Issue 2nd Edition of Natural Products for Drug Discovery and Development)
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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.
Keywords: Chrysophanol; Hepatitis B virus; microbial fuel cells; Network Pharmacology (NP); root mean square fluctuation Chrysophanol; Hepatitis B virus; microbial fuel cells; Network Pharmacology (NP); root mean square fluctuation
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MDPI and ACS Style

Tiongson, S.C.M.; Chen, B.-Y.; De Castro-Cruz, K.A.; Hsueh, C.-C.; Lien, Y.; Tsai, P.-W. Electron-Shuttling Characteristics of Cassia obtusifolia Seed Extracts and Antiviral Activities of Anthraquinone Compounds Through In Silico Studies. Processes 2025, 13, 458. https://doi.org/10.3390/pr13020458

AMA Style

Tiongson SCM, Chen B-Y, De Castro-Cruz KA, Hsueh C-C, Lien Y, Tsai P-W. Electron-Shuttling Characteristics of Cassia obtusifolia Seed Extracts and Antiviral Activities of Anthraquinone Compounds Through In Silico Studies. Processes. 2025; 13(2):458. https://doi.org/10.3390/pr13020458

Chicago/Turabian Style

Tiongson, Stephanie Claire M., Bor-Yann Chen, Kathlia A. De Castro-Cruz, Chung-Chuan Hsueh, Yeh Lien, and Po-Wei Tsai. 2025. "Electron-Shuttling Characteristics of Cassia obtusifolia Seed Extracts and Antiviral Activities of Anthraquinone Compounds Through In Silico Studies" Processes 13, no. 2: 458. https://doi.org/10.3390/pr13020458

APA Style

Tiongson, S. C. M., Chen, B.-Y., De Castro-Cruz, K. A., Hsueh, C.-C., Lien, Y., & Tsai, P.-W. (2025). Electron-Shuttling Characteristics of Cassia obtusifolia Seed Extracts and Antiviral Activities of Anthraquinone Compounds Through In Silico Studies. Processes, 13(2), 458. https://doi.org/10.3390/pr13020458

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