SYNTHESIS, BIOLOGICAL EVALUATION AND IN SILICO STUDIES OF PYRAZOLINE AND ITS METAL COMPLEXES AS ANTI-AMOEBIC AGENTS

A series of pyrazolines and metal complexes of 3-(furyl)-2-pyrazoline were design, synthesized and their structures were provided by FT-IR, H-NMR, C-NMR, ESI-MS and elemental analysis. These compounds were assessed for their in-vitro anti-amoebic activity against HMI:IMSS strain of Entamoeba histolytica and compared with standard drug metronidazole. Pyrazolines showed better activity in comparison to its mannich base, but the activity of metal complexes is much more promising than pyrazolines. The docking and ADMET studies were also conducted to investigate the probable mode of action. From the docking studies, it showed that E. histolytica thioredoxin reductase protein showed an active site for binding affinity.