In Silico Prediction of the Potential of Some Bioactive Compounds from Licorice to Target Banana Bunchy Top Virus

Elshaer, Nashwa Ahmed; El-Masry, Samar S.A.; Rabiee, Muhammed Saber; Sadik, Atef Shoukry; Megahed, Allam Arafat

doi:10.21608/ejp.2025.436169

In Silico Prediction of the Potential of Some Bioactive Compounds from Licorice to Target Banana Bunchy Top Virus

Document Type : Original Article

Authors

¹ Department of Plant Protection, Faculty of Agriculture, Zagazig University, 44511 Zagazig, Egypt.

² Department of Agricultural Microbiology, Laboratory of Virology, Faculty of Agriculture, Ain Shams University, P.O. Box 68, Hadayek Shobra, Cairo, Egypt

³ Department of Environmental Protection Technology, Future Science Higher Institute, P.O. Box 42421, Sakākā, Al-Jawf, Saudi Arabia

⁴ Department of Agricultural Microbiology, Faculty of Agriculture, Ain Shams University, P.O. Box 68, Hadayek Shobra, Cairo, Egypt

⁵ Agricultural Botany Dept. (Plant Pathology), Faculty of Agriculture, Damietta University, New Damietta (P.B.34517), Egypt.

10.21608/ejp.2025.436169

Abstract

Banana bunchy top virus (BBTV) poses a significant threat to banana production, particularly in tropical and subtropical regions, resulting substantial yield losses. Conventional control methods have proven largely highlighting the urgent need for alternative, sustainable antiviral strategies. This study investigates the potential of licorice-derived compounds-Glabridin, Glycyrrhetic acid, Isoliquiritin, and Liquiritin-as inhibitors of BBTV, alongside Acyclovir, a known antiviral agent, used as a reference compound. In silico molecular docking studies were conducted against six BBTV DNA variants (DNA-R, DNA-U3, DNA-S, DNA-M, DNA-C, and DNA-N). The findings indicated that licorice compounds engaged in strong binding interactions, primarily via hydrophobic, electrostatic, and hydrogen bonds. Glabridin stood out as the most consistent and effective binder across all protein variants. Glycyrrhetic acid showed notable binding as well, though to a lesser extent, while Isoliquiritin and Liquiritin displayed weaker but still encouraging interactions. In comparison, Acyclovir showed simpler, less diverse binding profiles, resulting in weaker overall binding affinities. These findings suggest that licorice-derived compounds, particularly Glabridin and Isoliquiritin, hold significant promise as antiviral agents against BBTV. The study provides valuable insights into the development of novel antiviral therapies targeting BBTV, contributing to the growing field of natural product-based antiviral drug discovery.

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