In terms of inflammation, Engeletin showed stable binding to TLR4 (−8.6 kcal/mol) and NF-κB (−7.1 kcal/mol), forming salt bridges (e.g., ARG106D, ARG2305A) and hydrogen bonds, suggesting a potential role in attenuating stroke-related inflammation via the TLR4/NF-κB pathway. This evidence concerns the gene NFKB1 and Stroke.