To the best of our knowledge, there has been no prior research on the molecular docking and dynamic simulation of bioactive compounds from PS. Therefore, our study endeavors to elucidate the molecular-level interaction mechanisms involved and identify potential flavonoid compounds as IL-6 inhibitors of PS. This research contributes to our understanding of novel drug opportunities for impeding the local and systemic progression of rheumatoid arthritis. Here, IL6 is linked to rheumatoid arthritis.