Furan–thiazole hydrazone scaffolds as promising antitubercular and antibacterial agents: synthesis, characterization, bioevaluation and computational analysis
Yuvraj R. Sable, Rahul A. Shinde, Haya Yasin, Niraj Ghanwate, Suraj N. Mali, Suresh Ghotekar, Dhanesh P. Gawari, Dinesh A. Sasane, Vishnu A. Adole
Abstract
ADME profiling revealed favorable drug-likeness and pharmacokinetics for most compounds, while DFT studies including structure optimization, FMO analysis, reactivity descriptors, and MEP mapping offered valuable insights into electronic distribution, reactivity, and potential binding sites of the furan-thiazole hydrazone derivatives. The results support the candidacy of compounds 4a, 4b and 4c in antitubercular study, while 4f and 4g as notable antibacterial agents for future development.
Topics & Concepts
ThiazoleHydrazoneChemistryCombinatorial chemistryFuranCharacterization (materials science)Antibacterial activityOrganic chemistryNanotechnologyMaterials scienceBacteriaBiologyGeneticsSynthesis and biological activityClick Chemistry and ApplicationsSynthesis and Biological Evaluation