title: Design, synthesis and docking studies of new quinoline-3-carbohydrazide derivatives as antitubercular agents.
abstract: Three new series of 4-hydroxy-8-trifluoromethyl-quinoline derivatives were synthesized through multi step reactions. All the newly synthesized compounds were characterized by spectral and elemental analyses. The structure of 5j was evidenced by X-ray crystallographic study. The newly synthesized title compounds were evaluated for their antimicrobial activities including antimycobacterial activity. Amongst the tested compounds, 5b, 5e, 5h, 5j, 6c and 7c displayed promising antimicrobial activity. The mode of action of these active compounds was carried out by docking of receptor enoyl-ACP reductase with newly synthesized candidate ligands, 5b, 5e, 5h, 5j and 6c.
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: Sandeep
authors: S
authors: Telkar
authors: Imran H
authors: IH
authors: Chowdhury
authors: Riaz
authors: R
authors: Mahmood
authors: Nishith K
authors: NK
authors: Pal
authors: Guru
authors: G
authors: Row
authors: E
authors: E
authors: Sumesh
mesh_terms: D000995:Antitubercular Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects; D015195:Drug Design; D006834:Hydrazines / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D008968:Molecular Conformation; D011804:Quinolines / Q000737:chemistry*
chemical_list: D000995:Antitubercular Agents; D006834:Hydrazines; D011804:Quinolines; C019289:carbohydrazide