With respect to the research of TLR8, recent studies employed MD simulations to investigate TLR8 and identify or optimize TLR8 agonists and antagonists. Sribar et al. performed a virtual screening campaign with structure-based 3D pharmacophores of TLR8 agonists in combination with molecular docking, which led to the discovery of novel pyrimidine-based TLR8 inhibitors .