Khám phá tiềm năng chống viêm của các hợp chất tự nhiên thông qua tương tác với thụ thể IL-6 (IL-6R): Một nghiên cứu In Silico

Abstract Inflammation is a complex physiological response in which Interleukin-6 (IL-6) and its receptor (IL-6R) play a central role in activating pro-inflammatory and pain-related signaling pathways, particularly in chronic conditions such as rheumatoid arthritis. This study employed a molecular docking (in silico) approach to evaluate the binding affinities between IL-6R and 25 natural compounds with potential anti-inflammatory properties. Tocilizumab, an FDA-approved IL-6R antagonist, was used as a reference compound. The results showed that compounds such as EGCG, Baicalin, Akebia saponin D, and Quercetin exhibited very strong binding affinities to IL-6R (ΔG ≤ –7.5 kcal/mol), competing at the IL-6 binding site, suggesting their potential as natural IL-6R inhibitors. This study provides a preclinical foundation for the screening and development of targeted anti-inflammatory phytomedicines. Keywords: IL-6R, IL-6, In silicon, EGCG, Akebia saponin D, Inflammation.