Synthesis of novel naphthalimide tethered 1,2,3-triazoles: In vitro biological evaluation and docking study of anti-inflammatory inhibitors

In this research work, a novel heterocyclic naphthalimide tethered 1,2,3-triazoles was synthesized by the approach of click chemistry. An entire compound's chemical structure was confirmed by spectral data of (HNMR)-H-1, (CNMR)-C-13 and HR-MS. The structure of compound 10a was established by single crystal X-ray diffraction technique. The in vitro anti-inflammatory studies of compounds 6b, 10a and 10d at 200 mu M exhibited potent selective inhibitions. The compound 10a shows 92.3 and 95.29% inhibition against the protein denaturation assays of bovin serum albumin and egg albumin, respectively. The compound 10a shows higher inhibitory activity compared to 6b and 10d. The molecular docking studies against COX1 and COX2 show that 10a shows a strong inhibitory effect owing to the significant free energy of binding -13.58 and -10.42 kcal/mol, respectively. The structure of compound 10a was optimized through DFT analysis. Statistical analysis using one way ANOVA was performed to study the effect of change in concentration of compounds on the percentage of inhibition. (C) 2022 Elsevier B.V. All rights reserved.