Design,synthesis, antitubercular and antibacterial activities of pyrrolo[3,2-b]pyridine-3-carboxamide linked 2-methoxypyridine derivatives and in silico docking studies |
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Authors: | Srinu Bodige Parameshwar Ravula Kali Charan Gulipalli Srinivas Endoori Purna Koteswara Rao Cherukumalli Narendra Sharath Chandra JN |
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Institution: | 1. Department of Chemistry, Koneru Lakshmaiah Education Foundation, Guntur, India;2. Department of Pharmaceutical Chemistry, School of Pharmacy, Gurunanak Institutions Technical Campus, Hyderabad, India;3. Department of Pharmaceutical Chemistry, Guruktupa Institute of Pharmacy, Majalgaon, Maharashtra, India |
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Abstract: | AbstractA novel series pyrrolo3,2-b]pyridine-3-carboxamide linked 2-methoxypyridine derivatives have been designed, synthesized and confirmed by FT-IR, 1H NMR, 13C NMR, 19F NMR, MS, and elemental analysis. The synthesized compounds were screened for their antitubercular activity using microplate alamar blue assay method and antibacterial activity. Among the tested compounds, 4- fluorophenyl (8m), 4- chlorophenyl (8n) and 4-methoxyphenyl (8i) showed potent anti-TB activity (3.12?µg/mL) in comparison with reference drug, Pyrazinamide ((3.12?µg/mL). In addition, all compounds were docked into DprE1 (PDB code: 4KW5) to explore their binding interactions at the active site. The compounds exhibited essential key interactions as that of reported DprE1 inhibitors and hence, the synthesized compounds may be considered as molecular scaffolds for antitubercular activity. Compounds, 4-chlorophenyl (8n) and 4-flurophenyl (8m) showed significant antibacterial activity against Escherichia coli and Staphylococcus aureus strains. In silico prediction of toxicities, druglikeness and drug score profiles of the tested compounds are promising. |
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Keywords: | Antitubercular activity 1 4-azaindoles docking studies synthesis |
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