SYNTHESIS, SPECTROSCOPIC CHARACTERIZATION AND BIOLOGICAL ACTIVITIES OF SCHIFF BASED CHITOSAN DERIVATIVE – AN in-vitro AND in-silico APPROACHES

A novel chitosan (Cs) – based asymmetric scaffold composed of 5-bromosalicylaldehyde at C2 and aniline at C6 was fabricated via the self-association approach. This novel chitosan - Schiff derivative are characterized by elemental analysis, Thermogravimetric analysis (TGA), FT-IR, 1H-NMR. By In-vitro analysis, the newly synthesized compound was subjected to antioxidant analysis by FRAP and DPPH, anti-inflammatory antibacterial and anti-cancer activities using MTT assay in MCF-7 cell lines. The findings obtained from the in - vitro experimental analysis, it can be concluded that the compound is having good antioxidant, anti-inflammatory, antibacterial and anti-cancer activities. Finally, study was carried out to understand the possible mechanisms involved in the anti-bacterial and anti-cancer activities of newly synthesized chitosan derivative by in – silico approach with different bioinformatics databases and tools. The results showed that the antibacterial activity is due to the interactions of synthesized chitosan derivative with 16srRNA of bacteria (similar to that of the binding pattern of Kanamycin antibiotic to 16srRNA) and the anti-cancer activity is due to binding of the compound with the apoptosis regulator BCl2 target protein.