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Current Bioactive Compounds

Author(s): Bhagwat S. Jadhav, Vipul P. Purohit, Ramesh S. Yamgar*, Rajesh S. Kenny, Suraj N. Mali, Hemchandra K. Chaudhari and Mustapha C. Mandewale

DOI: 10.2174/1573407216999200625222014

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Synthesis and In-silico Identification of New Bioactive 1,3,4-oxadiazole Tagged 2,3-dihydroimidazo[1,2-a]pyridine Derivatives

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Abstract

Background: Tuberculosis (TB) continues to be the most threatening cause of death in recent years. There is an urgent need to search more potent, less toxic antitubercular agents.

Methods: A set of five new 1,3,4-oxadiazolyl-imidazo-1,2-pyridine derivatives (4a-4e) was synthesized and screened in-vitro for their antibacterial activity against Mycobacterium tuberculosis (H37 RV strain) ATCC No-27294.

Results: Compound 4b displayed potent antitubercular activity at MIC 6.25 μg/mL. In-silico molecular docking studies were performed for the evaluation of the binding patterns of compounds 4a-4e in the binding site of proteins like, Pantothenate synthatase and enoyl acyl reductase inhibitor. The outcomes of the in-vitro antitubercular studies were in good agreement with the molecular docking studies. These newly synthesized compounds were found to have a good ADMET profile. We also explored possible anticancer activity using in-silico methods.

Conclusion: These results show that readily synthesized 1,3,4-oxadiazolyl-imidazo-1,2-pyridine derivatives (4a-4e) are attracting a new class of potent anti-TB targets as well as possible anticancer activity that worth additional opportunities for improvements.

Keywords: Oxadiazole, imidazole, tuberculosis, anticancer, molecular docking, zibotentan.

Graphical Abstract

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