Molecular docking is a well-known computational technique for predicting the interaction energy between two molecules and is commonly used to better understand drug-receptor interactions. Six Pyrazoline derivatives with substituted Pyrazole moiety (6a-f) were synthesised in this study. Spectral studies were used to characterise the structures of the newly synthesised substances (UV, IR, and NMR). Antibacterial and antifungal activity were tested on the compounds. When compared to the standard medicine and other test compounds, Compound (6b) displayed better antibacterial activity (15mm) against k.pneumonia at 200 µg/ml and good antifungal activity (13mm) against c.albicans at 200 µg/ml. All of the compounds were subjected to molecular docking experiments using autodock vina software. The results of the in silico molecular docking analysis revealed that all of the synthesised compounds have a low binding energy and a high affinity for the active pocket, making them excellent inhibitors of bacterial and fungal activity

Pyrazoline, antibacterial, antifungal, docking