Glycyrrhizic Acid Monoammonium Complex (XF-2): Chemical Profile and Immunomodulatory Evaluation

This study explores the physicochemical and biological properties of the supramolecular complex XF-2, composed of glycyrrhizic acid monoammonium salt and anti-tuberculosis drugs pyrazinamide, isoniazid, rifampicin, and levofloxacin. UV-Vis spectroscopy revealed a bathochromic shift from 254 to 264 nm, confirming electronic interactions between glycyrrhizic acid and the guest molecules. FTIR spectra showed characteristic bands at 1,658 cm⁻¹ (C=O) and 1,593 cm⁻¹ (–COO⁻), indicating ionic and hydrogen-bonded interactions responsible for supramolecular assembly formation. Molecular docking analysis demonstrated stable binding of XF-2 components with NF-κB p52 (2AZ5), IL-10 (1VLK), and IL-6 receptor (1A3Q), with binding energies ranging from –4.6 to –9.2 kcal/mol. Rifampicin and levofloxacin exhibited the strongest affinities, forming multiple hydrogen bonds, π-π stacking, and electrostatic interactions with key amino acid residues. In vivo studies showed that XF-2 is low-toxic (LD₅₀ = 4,050 mg/kg) and exerts marked immunomodulatory activity in prednisolone-induced immunosuppressed mice. At 1,000 mg/kg, the complex significantly increased thymus and spleen indices, restoring immune organ weights close to normal values. Together, spectroscopic, computational, and pharmacological data confirm that XF-2 is a stable, safe, and biologically active supramolecular formulation with strong immunorestorative potential, making it a promising candidate for further development as an immunomodulatory and protective agent. HIGHLIGHTS The supramolecular complex XF-2 was formed with glycyrrhizic acid monoammonium salt. UV-Vis and FTIR spectra confirmed hydrogen-bonded and ionic complex formation. Docking showed strong binding to NF-κB p52, IL-10, and IL-6 receptor proteins. XF-2 exhibited low acute toxicity (LD₅₀ = 4050 mg/kg) in in vivo preclinical tests. The complex restored thymus and spleen indices, showing potent immunomodulatory activity. GRAPHICAL ABSTRACT

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