Anti-Inflammatory Therapeutic Potential of 6,8,10-Gingerols Against Cox Pathway by Molecular Docking Analysis

While traditionally tied to infections and the immune system, inflammation is now recognized to manifest distinctive markers across a broader array of diseases, as suggested by recent evidence. It encompasses a series of cellular and microvascular reactions aimed at eliminating damaged tissue and promoting the generation of new, healthy tissue. Ginger (Zingiber officinale Roscoe), a member of the Zingiberaceae family, has earned widespread popularity as a spice with ancient roots. Ginger contains predominantly gingerols, shogaols, and paradols as its main phenolic compounds. The primary phenolic compounds present in fresh ginger are gingerols, with 6-gingerol being the predominant form, accompanied by 4-, 5-, 8-, 10-, and 12-gingerols. Gingerols, acting as inhibitors of COX (Cyclooxygenase enzymes), have proven effective in a diverse array of pharmacological activities. Concerning a diverse spectrum of biological activities and documented mechanisms, the intricate interplay among three pivotal events—namely, inflammation, oxidative stress, and immunity—seems to contribute significantly to the myriad pharmacological effects of this compound. Through the inhibition of protein kinase B (Akt) and nuclear factor kappa B (NF-κB) signaling pathways, gingerols exhibit the capacity to mitigate inflammation, resulting in a reduction of proinflammatory cytokines and an elevation of anti-inflammatory cytokines. Through molecular modeling simulations, it was observed that gingerols preferentially interact with COX (cyclooxygenase enzymes) with a significant binding energy of -7 Kcal/mol. Exploration of hit compounds involves the application of tools such as ADMET@SAR, Discovery Studio, ADME/toxicity profiling, and molecular docking simulations. In conclusion, we utilized a computational technique to analyze interactions with drug targets.