Inhibitory effects of Ephedra alte on IL-6, hybrid TLR4, TNF-α, IL-1β, and extracted TLR4 receptors: in silico molecular docking

• DOI: 10.1016/j.heliyon.2022.e12730
• Publication Date: 2022-12-30T17:29:32Z
• Authors: Haya Ayyal Salman; Amira Suriaty Yaakop; Saleem Aladaileh; Morad Mustafa; Mohammed Gharaibeh; Ummirul Mukminin ...
• Keywords: Docking (animal)

Inflammation is a physiological reaction of the immune system required to remove presence pathogenic germs. Many herbal-derived extracts and phytoconstituents show anti-inflammatory effects. Among these natural Ephedra alte (E. alte), which shows pepsin enzyme inhibitory, antibacterial, antioxidant activities. In this work, molecular docking study conducted on five major human cytokines receptors (IL-6, hybrid TLR4, TNF-α, IL-1β, extracted TLR4) explore recognition process complex ligand-receptor interactions E. phytoconstituents. Human TLR4 receptor has been computationally extracted, for first time, from VLRB inshore hagfish. phytoconstituents, only β-Sitosterol Androstan-3-one have better LBE (Lowest Binding Energy) scores with inhibition constant (Ki) values than those other tested compounds. The results indicate that compounds could be efficient inhibitors inflammation reduce oxidative stress by interfering activity studied proteins.