In-vitro, in-vivo and in-silico anti-inflammatory evaluation of hedychenone and its semisynthetic derivative

Abstract

Hedychium spicatum is a perennial shrub that is commonly found in the Himalayan region. Thin layer chromatography fingerprint screening of various Hedychium species revealed that only the species Hedychium spicatum possesses hedychenone. Purification and isolation of hedychenone was carried out from methanolic extract of Hedychium spicatum rhizomes powder using column chromatography. After crystallization of enriched fraction, 2.19% of hedychenone crystalline powder was yielded. The physiochemical, pharmacokinetic, and pharmacodynamic evaluation of the active pharmaceutical components was conducted using artificial learning and machine learning (AL/ML) approaches. The results indicate that both medications adhere to Lipinski’s rule of five. The docking study indicated that compound 2 (MBE-10.4 kcal/mol) exhibited a more sub-stantial interaction with the cannabinoid receptor 2 compared to hedychenone (MBE -9.85 kcal/mol). A study was done to assess the physical and chemical stability of hedychenone under biological pH conditions. Furthermore, the administration of both medication concentrations, 100 mg/kg and 200 mg/ kg, effectively inhibits the development of acute paw edema caused by ovalbumin. A preliminary investigation of hedychenone and its synthetic derivative indicated that these compounds have the potential to be utilized as active medicinal ingredients in herbal pharmaceutical preparations.