Sterols and triterpenoids as potential anti-inflammatories: Molecular docking studies for binding to some enzymes involved in inflammatory pathways
We performed docking studies of key triterpenoids to enzymes involved in inflammation. We determined the relationship between the skeleton type and the inhibited enzyme. Both skeleton and substitution pattern are important for enzyme binding. Our results support the use of triterpenoids as potential leads for drug design.
triterpenoids inflammation molecular docking structure-activity relationship natural products