title: New polyfunctional imidazo[4,5-C]pyridine motifs: synthesis, crystal studies, docking studies and antimicrobial evaluation.
abstract: New antimicrobial agents, imidazo[4,5-c]pyridine derivatives have been synthesized. We have developed a new synthetic protocol for the final reaction, an efficient microwave-assisted synthesis of imidazo[4,5-c]pyridines from substituted 3,4-diaminopyridine and carboxylic acids in presence of DBU mediated by T3P. The chemical structures of the new compounds were characterized by IR, (1)H NMR, (13)C NMR, mass spectral analysis and elemental analysis. In addition, single crystal X-ray diffraction has also been recorded for compound 9c. The in vitro antimicrobial activities of the compounds were conducted against various Gram-negative, Gram-positive bacteria and fungi. Amongst the tested compounds 9c, 9e, 9g, 9k and 9l displayed promising antimicrobial activity. The molecular docking of GlcN-6-P synthase with newly synthesized compounds was carried out.
authors.affiliation: P.G. Department of Chemistry, Jain University, 127/2, Bull Temple Road, Chamarajpet, Bangalore 560026, India.
authors.forename: Gilish
authors.initials: G
authors.lastname: Jose
authors.affiliation: P.G. Department of Chemistry, Jain University, 127/2, Bull Temple Road, Chamarajpet, Bangalore 560026, India; Department of Chemistry, U.B.D.T. College of Engineering, Davangere, Karnataka 577004, India. Electronic address: suresha.kumara@rediffmail.com.
authors.forename: T H
authors.initials: TH
authors.lastname: Suresha Kumara
authors.affiliation: P.G. Department of Chemistry, Jain University, 127/2, Bull Temple Road, Chamarajpet, Bangalore 560026, India.
authors.forename: Gopalpur
authors.initials: G
authors.lastname: Nagendrappa
authors.affiliation: P.G. Department of Chemistry, Jain University, 127/2, Bull Temple Road, Chamarajpet, Bangalore 560026, India.
authors.forename: H B V
authors.initials: HB
authors.lastname: Sowmya
authors.affiliation: Department of Chemistry, Keene State College, Keene, N.H. 03435-2001, USA.
authors.forename: Jerry P
authors.initials: JP
authors.lastname: Jasinski
authors.affiliation: Department of Chemistry, Keene State College, Keene, N.H. 03435-2001, USA.
authors.forename: Sean P
authors.initials: SP
authors.lastname: Millikan
authors.affiliation: P.G. Department of Chemistry, Jain University, 127/2, Bull Temple Road, Chamarajpet, Bangalore 560026, India.
authors.forename: N
authors.initials: N
authors.lastname: Chandrika
authors.affiliation: P.G. Department of Biochemistry, C.P.G.S., Jain University, Jayanagar 3rd block, Bangalore 560011, India.
authors.forename: Sunil S
authors.initials: SS
authors.lastname: More
authors.affiliation: Department of Biotechnology, M.S. Ramaiah Institute of Technology, Bangalore 560054, India.
authors.forename: B G
authors.initials: BG
authors.lastname: Harish
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D000935:Antifungal Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects; D018360:Crystallography, X-Ray; D004305:Dose-Response Relationship, Drug; D005658:Fungi / Q000187:drug effects; D006801:Humans; D007093:Imidazoles / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D011725:Pyridines / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D013329:Structure-Activity Relationship
chemical_list: D000900:Anti-Bacterial Agents; D000935:Antifungal Agents; D007093:Imidazoles; D011725:Pyridines
keywords: Antimicrobial activity; Imidazo[4,5-c]pyridine; Microwave-assisted organic synthesis; Molecular docking studies; X-ray crystal studies