Synthesis, biological evaluation, and molecular docking studies of novel pyrazole, pyrazoline-clubbed pyridine as potential antimicrobial agents

We have prepared 15 hybrid pyrazole, pyrazoline-clubbed pyridine-containing compounds (5a-o) and tested for their antibacterial and antifungal activities for the development of potential antimicrobial agents. The structures of this novel series were characterized by various spectral techniques like IR, H-1 NMR, C-13 NMR, LC-MS, and elemental analysis. The synthesized compounds 5d, 5e, 5i, 5k, 5m, and 5o exhibited significant antimicrobial activity in the comparison of standard drugs. Molecular docking studies that have been carried out to emphasize the binding orientations of these molecules were in good compliance with crystal structure interactions. The predicted drug-likeness (ADME) properties were found to be in the acceptable range.

Automated summary

Fifteen hybrid pyrazole and pyrazoline-clubbed pyridine-containing compounds were synthesized and tested for their antibacterial and antifungal activities. Several compounds exhibited significant antimicrobial activity compared to standard drugs. Molecular docking studies and drug-likeness properties predictions indicated promising applications for these compounds.