MOLECULAR DOCKING STUDY OF GLYCYRRHIZA GLABRA CONSTITUENTS AS ANTIVIRAL CANDIDATES FOR GUILLAIN–BARRÉ SYNDROME
Dr. S. Janet Beula*, Ragipati Suneetha, Kandhagatla Saisneha, Vanitha Bolla, Donthula Srilatha, Dr. Madireddy Mamata
ABSTRACT
Guillain-Barré syndrome and Chikungunya viruses possess specific proteins that serve as prime targets for antiviral drug design. Recent studies suggest that targeting these proteins can effectively inhibit viral replication and pathogenesis in humans. Glycyrrhiza glabra (Liquorice) is known to harbor phytochemicals with potent antibacterial and anticancer properties. In this study, we evaluated the antiviral potential of four specific compounds identified in Glycyrrhiza glabra fruit against 14 viral proteins (7 from Guillain-Barré syndrome and 7 from Chikungunya) using in silico methods. Through virtual screening and molecular docking, we determined that Gallic acid (Benzoic acid, 3,4,5-trihydroxy-) exhibited the highest binding affinity with the target proteins. Furthermore, we predicted the specific amino acid residues involved in the active sites and analyzed the hydrogen bonding interactions contributing to this stability.
[Full Text Article] [Certificate Download]
