From Isoniazid to 2-Pyrazolines: Synthesis, In silico Behaviour and Antimicrobial Activity

Abstract

This study explores the synthesis, in silico behaviour and antimicrobial activity of isoniazid derived 2-pyrazolines as potential drugs for tuberculosis and bacterial infections. The investigation encompasses the synthesis, computational studies for molecular behaviour and antimicrobial efficacy assessment. Incorporating established drugs like isoniazid is explored to enhance their pharmacological properties. The synthesized compounds were characterized by analytical techniques such as IR, NMR, mass spectral analysis and elemental analysis. Synthesized pyrazolines 4a-j were evaluated for in vitro antitubercular and antibacterial activities against various biological strains. In silico analysis provides valuable insights into ADMET descriptors, confirming good pharmacokinetic properties. This suggests these compounds as templates for developing new anti-mycobacterial agents, guiding the design of novel compounds with improved therapeutic potential.