23051-08-3Relevant articles and documents
X-ray and molecular modelling in fragment-based design of three small quinoline scaffolds for HIV integrase inhibitors
Majerz-Maniecka, Katarzyna,Musiol, Robert,Skorska-Stania, Agnieszka,Tabak, Dominik,Mazur, Pawel,Oleksyn, Barbara J.,Polanski, Jaroslaw
, p. 1606 - 1612 (2011)
Crystal structures of three small molecular scaffolds based on quinoline, 2-methylquinoline-5,8-dione, 5-hydroxy-quinaldine-6-carboxylic acid and 8-hydroxy-quinaldine-7-carboxylic acid, were characterised. 5-Hydroxy- quinaldine-6-carboxylic acid was co-crystallized with cobalt(II) chloride to form a model of divalent metal cation-ligand interactions for potential HIV integrase inhibitors. Molecular docking into active site of HIV IN was also performed on 1WKN PDB file. Selected ligand-protein interactions have been found specific for active compounds. Studied structures can be used as scaffolds in fragment-based design of new potent drugs.
Synthesis, spectroscopy and computational studies of selected hydroxyquinoline carboxylic acids and their selected fluoro-, thio-, and dithioanalogues
Nycz, Jacek E.,Malecki, Grzegorz J.
, p. 159 - 168 (2013/02/22)
The faster and more efficient new synthetic methodologies of crystalline hydroxyquinoline carboxylic acids and their fluoro-, thio- and dithioanalogues were elaborated. The FTIR, multinuclear NMR, UV-Vis and single crystal X-ray characteristics of the series of quinoline carboxylic acids have been determined experimentally and rationalized on the basis of DFT calculation method with B3LYP functional.
Investigating biological activity spectrum for novel quinoline analogues 2: Hydroxyquinolinecarboxamides with photosynthesis-inhibiting activity
Musiol, Robert,Tabak, Dominik,Niedbala, Halina,Podeszwa, Barbara,Jampilek, Josef,Kralova, Katarina,Dohnal, Jiri,Finster, Jacek,Mencel, Agnieszka,Polanski, Jaroslaw
, p. 4490 - 4499 (2008/12/20)
Two series of amides based on quinoline scaffold were designed and synthesized in search of photosynthesis inhibitors. The compounds were tested for their photosynthesis-inhibiting activity against Spinacia oleracea L. and Chlorella vulgaris Beij. The com