In Silico Study on 5-hydroxy-2-(4-hydroxyphenyl)-6,7- dimethoxychromen-4-one as a Candidate IL-1R and TNF-R Inhibitor

Inflammation is an important process that fights infections and allows the repair of tissues; however, chronic inflammation is implicated in many diseases, including autoimmune diseases and tumorigenesis. Central to this process are the Interleukin-1 receptor and Tumor Necrosis Factor receptor that mediate the action of the pro-inflammatory cytokines IL-1 and TNF-α, respectively. This work is aimed at the theoretical investigation of the possibility of 5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one, a naturally occurring flavonoid with established anti-inflammatory properties, acting as an IL-1R and TNF-R inhibitor by in silico methods. In fact, molecular docking studies have indicated good binding affinities and identified crucial interactions with amino acid residues in the receptor binding sites. These observations strongly suggest that this compound is likely to inhibit IL-1R and TNF-R with high efficiency, leading to the modulation of the inflammation-related pathways. Further experimental validation is required to confirm these interactions and also to assess their therapeutic potential in inflammatory disorders.