Synthesis, antimicrobial, and antitubercular evaluation of new Schiff bases with in silico ADMET and molecular docking studies

Schiff bases are a proven moiety in antitubercular drug discovery and the development. Drug is never-ending process due to evolving resistance by bacteria, as result, there need of developing new drugs. In this continuous discovery, series synthesized using quinoline carbohydrazide upon coupling with different aldehydes ethanolic media through multistep synthesis. These compounds were purified characterized spectroscopic techniques. The molecules vitro screened for antifungal antibacterial potential Agar well diffusion assay, activity microplate Alamar blue an attempt has been made study in-silico relationship between base derivatives 4a-f crystal structure M. tuberculosis (5V3Y) protein molecular docking studies. Synthesized show good interaction fulfill ADMET characteristics silico experiments. Among tested, compound 4d was found be active against bacteria fungi. Compound 4b sensitive at 50 µg/mL concentration.