Discovery of New Isoniazid Derivatives As Anti-tubercular Agents: In silico Studies, Synthesis, and In vitro Activity Evaluation
Abida Ash Mohd,
Mohd Imran,
Noura Yousif Alnaser
et al.
Abstract:This research aimed to discover novel isoniazid (INH) derivatives as anti-tubercular (anti-TB) agents. The chemical structures of isoniazid-based pyridazinone (IBP) derivatives were designed, and their toxicity and pharmacokinetic properties were predicted using the ProTox II and Swiss-ADME databases. The molecular docking of non-toxic IBPs was also performed concerning INH, pyrazinamide (PYZ), ethionamide (ETH), macozinone (MCZ), and BTZ043 utilizing DprE1 enzyme’s proteins (PDB IDs: 4F4Q, 4NCR and 6HEZ). Bas… Show more
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