Vol. 7, Issue 5, Part A (2025)

The four bioactive compounds were isolated from the leaves of C. grandis (L) and characterised using spectroscopic data from UV, IR, 1HNMR, 13CNMR, and mass spectroscopy before the bioactive fraction's TLC profile was examined. The antibacterial activity of methanol leaf extract was investigated using four bacterial strains: E. coli, P. vulgaris, S. aureus, and B. subtilis. The extract shown action against these strains. Four isolated compounds were used in the molecular docking investigation, which looked at the structure-activity relationship. Since compounds 1, 2, 3, and 4 have antibacterial qualities, it is necessary to investigate how these compounds attach to anti-bacterial (3WGN.pdb) receptor proteins. Since the primary target of inorganic nitrite's antioxidant effects in lipopolysaccharide-induced oxidative stress in macrophage cells and animals is NADPH oxidase, the crystal structure of NAD (P) H Oxidase (NO) is (2CDU.pdb) used as an antibacterial receptor protein. Their potential as future medications is increased by the fact that each of the four discovered compounds has a structure and activity relationship with its targeted protein.