1. Synthesis, In silico and Biological Studies of Thiazolyl-2h-chromen-2-one Derivatives as Potent Antitubercular Agents
- Author
-
Suraj N. Mali, Rajesh S. Kenny, Bhagwat S. Jadhav, Mustapha Mandewale, Hemchandra K. Chaudhari, and Ramesh S. Yamgar
- Subjects
Models, Molecular ,In silico ,Antitubercular Agents ,Microbial Sensitivity Tests ,010402 general chemistry ,01 natural sciences ,Ames test ,Mycobacterium tuberculosis ,chemistry.chemical_compound ,Coumarins ,Drug Discovery ,Thiazole ,Schiff base ,biology ,010405 organic chemistry ,General Medicine ,biology.organism_classification ,Coumarin ,Combinatorial chemistry ,0104 chemical sciences ,Molecular Docking Simulation ,chemistry ,Salicylaldehyde ,Molecular Medicine ,Antibacterial activity - Abstract
Background: A series of new six thiazolyl-2-amine-based Schiff base derivatives (4a-4f) were synthesized by a sequential multistep reaction starting with Salicylaldehyde. Methods: All the Schiff base derivatives were screened in-vitro for their antibacterial activity against Mycobacterium tuberculosis (H37RV strain) ATCC No-27294. The synthesized compounds were characterized by FTIR, 1H-NMR, 13C-NMR and Mass spectrometry. Results: Among the compounds tested, 4c and 4f derivatives exhibited potent antitubercular activity against M. tuberculosis at MIC 6.25 μg/mL. Conclusion: We extended our study to explore the inhibition mechanism by conducting molecular docking analysis by using Schrodinger’s molecular modeling software. All the newly synthesized compounds were found to be in-silico AMES test non-toxic and non-carcinogens. The good Qikprop’s Absorption, Distribution, Metabolism and Excretion (ADMET) would definitely help the researchers in order to make more potent Anti-TB agents.
- Published
- 2020
- Full Text
- View/download PDF