title: Design, synthesis and docking studies of quinoline-oxazolidinone hybrid molecules and their antitubercular properties.
abstract: New series of quinoline-oxazolidinone hybrid molecules were synthesized based on the preliminary docking studies. All the newly synthesized compounds were characterized by spectral analyses. The newly synthesized compounds were screened for their antimycobacterial properties based on the promising preliminary antibacterial screening results. Amongst tested compounds, compounds 8a, 8j and 13a were active at 0.65 μg/mL against Mycobacterium tuberculosis H(37)Rv strain. The mode of action of these active compounds was carried out by docking of receptor enoyl-ACP reductase with newly synthesized candidate ligands 8a, 8j and 13a. These compounds exhibited well established bonds with one or more amino acids in the receptor active pocket. From the docking studies, compound 8j was considered to be the best inhibitor.
authors: Anthem Biosciences Pvt. Ltd, No. 49, Bommasandra Industrial Area, Bommasandra, Bangalore 560099, Karnataka, India.
authors: K D
authors: KD
authors: Thomas
authors: Airody Vasudeva
authors: AV
authors: Adhikari
authors: Imran H
authors: IH
authors: Chowdhury
authors: T
authors: T
authors: Sandeep
authors: R
authors: R
authors: Mahmood
authors: B
authors: B
authors: Bhattacharya
authors: E
authors: E
authors: Sumesh
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D000995:Antitubercular Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects; D020134:Catalytic Domain; D015195:Drug Design; D050753:Enoyl-(Acyl-Carrier-Protein) Reductase (NADH) / Q000737:chemistry / Q000378:metabolism; D006801:Humans; D008958:Models, Molecular; D009169:Mycobacterium tuberculosis / Q000187:drug effects* / Q000201:enzymology; D023303:Oxazolidinones / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D011485:Protein Binding; D011804:Quinolines / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D014376:Tuberculosis / Q000188:drug therapy
chemical_list: D000900:Anti-Bacterial Agents; D000995:Antitubercular Agents; D023303:Oxazolidinones; D011804:Quinolines; D050753:Enoyl-(Acyl-Carrier-Protein) Reductase (NADH)