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Enzymatic Poly(gallic acid)-grafted L-Histidine Reduces Cell Inflammation and Oxidative Stress: In Silico and In
Carmen G Hernández-Valencia1,2, Iris N Serratos3, Carlos M Torre-Morales1
1Facultad de Química, Departamento de Alimentos y Biotecnología, Universidad Nacional Autónoma de México, Ciudad Universitaria, Ciudad de México, México.
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Enzyme-mediated poly(gallic acid) (PGAL) exhibits intrinsic anti-inflammatory and antioxidant properties; in this study, its chemical functionality was enhanced by microwave-assisted grafting of L-histidine to obtain PGAL-His. Incorporation of the amino acid into the PGAL backbone reached 33.24 ± 0.74 mol%. Molecular docking and binding energy calculations were used to model PGAL-His interactions, revealing that the NH3 + and COO- groups, together with the nitrogen atoms of the imidazole ring, play a central role in stabilizing electrostatic interactions. In vitro assays demonstrated reduced adhesion of inflammation-associated immune cells in a THP-1 macrophage model. Furthermore, PGAL-His significantly decreased reactive oxygen species (ROS) levels and reduced the secretion of the pro-inflammatory cytokines IL-6, TNF-α, and IL-1β in THP-1 cell cultures. These results indicate that PGAL-His is a promising chemically modified polyphenolic material with potential applications as a therapeutic tool for the management of immune-mediated inflammatory diseases.
