Molecular docking analysis of PI3K/AKT with betulin from Impatiens henslowiana
Rajamathanky Hariharan1, Rajasekaran Aiyalu1
1Department of Pharmacology, KMCH College of Pharmacy, Coimbatore, Tamil Nadu, India.
Abstract:
Drug-induced liver injury (DILI) remains a major clinical concern, as current therapies often show low efficacy and undesirable side effects. This study investigated the hepatoprotective, antioxidant, and anti-inflammatory potential of Impatiens henslowiana (IH) ethanolic extract and its active compound, betulin. IH was non-toxic up to 4000 mg/kg and showed protective effects in D-GalN-induced hepatotoxic rats at 200 and 400 mg/kg. Betulin exhibited strong antioxidant activity at a concentration of 9.5 µM and 19 µM in DCFH-DA assay, along with cytoprotective activity and downregulation of PI3K and AKT expression and their phosphorylation in HepG2 cells. Molecular docking confirmed high binding affinities of betulin to PI3K and AKT with binding energies of -10.36 kcal/mol and -10.99 kcal/mol, respectively, supporting its therapeutic potential.
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