SYNTHESIS, CHARACTERIZATION AND EVALUATION OF HEPATOCYTES REGENERATOR POTENTIALITY OF SOME NOVEL OXADIAZOLE DERIVATIVES FOLLOWED BY MOLECULAR DOCKING AGAINST NF-KB

NF-κB (nuclear factor kappa-light-chain-enhancer of activated B cells) is a protein complex that controls transcription of DNA, cytokine production and cell survival. Incorrect regulation of NF-κB has been linked to cancer, inflammatory and autoimmune diseases and improper immune development. The main objective of the present research work was the synthesis of N-(4-{[5-(substituted phenyl)-1,3,4-oxadiazol-2-yl] methoxy}phenyl) acetamide derivatives and to evaluate the hepatocytes regenerator potentiality by molecular docking with 2V2T-NF-KB and  as well as In vivo methods and the synthesized compounds were characterized by IR, NMR, and Mass spectroscopy. The in-vivo Hepatoprotective activity was carried out by using albino rats where CCl₄ was used as a hepatotoxin. Molecular docking is performed to find out the binding affinity or molecular interaction energy (kcal/mol) of docked compounds. In silico molecular docking studies displayed the binding energies: -5.17, -5.52, -5.40, -4.60, -4.60, -4.87, -3.42, -3.85 k.cal/mol, of the synthesized compounds (AB1-AB8) which indicated that the compound had the high binding affinity towards the 2V2T-NF-KB protein and inhibit the NF-KB protein function in comparison with std. drug silymarin (-3.54 k.cal/mol). The in vivo experimental data displayed that the elevated levels of SGOT, SGPT, ALP and Sr. bilirubin were mainly due to CCl₄ intoxication, reduced significantly (*P<0.05) in rats, after treatment with synthesized compounds at dose of both 250 and 500 mg/kg body weight respectively. Although both the doses (250 and 500 mg/kg b. w.) of synthesized compounds executed in vivo hepatocytes regenerator potentiality, but the higher dose (500 mg/kg b. w.) was more effective and more significant.