Title:Synthesis, In silico and Biological Studies of Thiazolyl-2h-chromen-2-one Derivatives as Potent Antitubercular Agents
VOLUME: 16 ISSUE: 5
Author(s):Bhagwat S. Jadhav, Ramesh S. Yamgar*, Rajesh S. Kenny, Suraj N. Mali, Hemchandra K. Chaudhari and Mustapha C. Mandewale
Affiliation:Department of Chemistry, Government of Maharashtra, Ismail Yusuf College of Arts, Science and Commerce, Jogeshwari (East), Mumbai-400 060, Department of Chemistry, Chikitsak Samuha’s Patkar-Varde College of Arts, Science and Commerce, Goregaon (West), Mumbai 400 062, Department of Chemistry, Chikitsak Samuha’s Patkar-Varde College of Arts, Science and Commerce, Goregaon (West), Mumbai 400 062, Institute of Chemical Technology, Matunga, Mumbai 400019, Institute of Chemical Technology, Matunga, Mumbai 400019, Department of Chemistry, Government of Maharashtra, Ismail Yusuf College of Arts, Science and Commerce, Jogeshwari (East), Mumbai-400 060
Keywords:Thiazole, coumarin, schiff bases, heterocyclic, tuberculosis, molecular docking.
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.
