Characterization, molecular docking, and therapeutic properties of biomaterial obtained from Pangasianodon hypopthalmus

The therapeutic properties of fish have been recognized since ancient times because of the presence of various fatty acids. Oleic acid, which is a mono-unsaturated fatty acid, is known for curing heart-related diseases and promoting brain health. Our study is a first attempt to evaluate the Anti-inflammatory activity, Anti-oxidant activity and perform characterization studies on mucus obtained from Pangasianodon hypopthalmus and explore its therapeutic properties. Anti-inflammatory property evaluation was performed via, albumin denaturation assay showing an 81% inhibition rate and RBC hemolysis assay with a 76.79% inhibition rate, anti-oxidant activity evaluation performed using the DPPH assay showed an 80% radical scavenging activity at 150μg/mL concentration. Overall results showed that anti-inflammatory was highest at 100mg/mL concentration and anti-oxidant activity was highest at 150μg/mL concentration. Characterization studies involved FTIR, NMR and GCMS analysis. Simulation study was performed on selected compound (ligand) against selected targets. From GC-MS analysis, C18H34O2 (Oleic acid), was found to be present at higher concentration. Docking studies revealed good binding energy and strong hydrogen bonding between oleic acid and TNF-α, with a binding energy of −5.3 kcal/mol, thereby demonstrating strong anti-inflammatory activity and wound-healing potency. Further in-vitro and in-vivo analysis has to be performed to develop potential drug for therapeutic purpose.