Integrated computational analysis, in vitro, in vivo investigation on Myristica fragrans Houtt. essential oils for potential anti rheumatic activities

Rheumatoid arthritis (RA) is an inflammation associated autoimmune disorder that is prevalent worldwide. Occurrence of severe side effects with current therapeutic regimens is major concern these days. We investigated Myristica fragrans mace and seed for management of inflammation and RA. Oils were extracted and analyzed using ATR-FTIR conforming occurrence of the aromatic amine, phenolic, and carboxylic acid groups mostly found in terpenoids. Most of tested compounds exhibited compliance with drug likeness, bioavailability and ADMET set parameters of safety. Molecular docking analysis showed interaction (-0.6 ΔG (kJ mol-1) of Myristicin with 4F5S. A significant antioxidant activity with DPPH, H2O2 and FRAP assays was observed in case of essential oil. Essential oil part also presented a significant protective effect during heat induced hemolysis (66 ± 1.0 %), BSA denaturation assay (61 ± 1.4 %) and higher levels of proteinase inhibition (70 ± 1.4 %). Acute antiflammatory model in rat presented a significant decrease in inflammation with essential oil. It was concluded that Myrictica fragrans essential oil possess significant (p