Molecular docking analysis of IL-6 and TNF-alpha with phytochemicals from Nilavaagai Kiyazham (decoction) used in Siddha medicine

Osteoarthritis (OA) is a degenerative musculoskeletal disorder marked by progressive cartilage degradation, synovial inflammation and subchondral bone remodeling, driven by pro-inflammatory mediators such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α). While non-steroidal anti-inflammatory drugs (NSAIDs) remain the standard treatment, their long-term use is constrained by adverse effects, necessitating safer, multi-targeted therapeutic alternatives. <i>Nilavaagai Kiyazham</i> (decoction), a classical Siddha polyherbal formulation composed of 26 botanicals, has been traditionally indicated for Vadha (gas related) disorders, aligning with osteoarthritic symptomatology. Therefore, it is of interest to assess the binding efficacy of selected phytoconstituents such as <i>Tinosporide</i>, <i>α-tocopherol</i> and <i>Apigenin</i> with IL-6 and TNF-α. The compounds demonstrated high binding affinities with multiple key interactions at active sites, indicating their potential to inhibit inflammatory signaling pathways implicated in OA pathogenesis. Thus, data substantiate the anti-inflammatory claims of <i>Nilavaagai Kiyazham</i> and support its integration as a complementary therapeutic modality in OA management, warranting further pharmacodynamics and clinical evaluation.