Exploration of pyrazole-based pyridine-4-carbohydrazide derivatives as drug-resistant <i>Mtb</i> agents: design, synthesis, biological evaluation, and <i>in-silico</i> studies
Pardeep Kumar, Pradip Malik, Juned Ali, Deepanshi Saxena, Anuradha Singampalli, Rani Bandela, Sri Mounika Bellapukonda, Sugali Indravath Rajyalakshmi, et al. (14 authors)
Future Medicinal Chemistry · 2025-06
Abstract
BACKGROUND: is the need of the hour to combat tuberculosis (TB) disease. MATERIALS AND METHODS: Rv and drug-resistant TB strains. Time kill kinetics assay was performed to check bactericidal/bacteriostatic effect, molecular docking, dynamics simulation over 100 ns was performed against enoyl acyl carrier protein reductase (InhA) along with QSAR, ADMET profile prediction. RESULTS: g/mL. CONCLUSION: The pyrazole clubbed with pyridine-4-carbohydrazide is a potential scaffold for further exploration as anti-TB agent.
MeSH terms
- Pyrazole
- Mycobacterium tuberculosis
- In silico
- Chemistry
- INHA
- Rifampicin
- Ethambutol
- Isoniazid
- Carbohydrazide
- Tuberculosis
- Combinatorial chemistry
- Docking (animal)
- Drug
- Pharmacology
- Stereochemistry