Targeting clinically-relevant metallo-β-lactamases: from high-throughput docking to broad-spectrum inhibitors was written by Brindisi, Margherita;Brogi, Simone;Giovani, Simone;Gemma, Sandra;Lamponi, Stefania;De Luca, Filomena;Novellino, Ettore;Campiani, Giuseppe;Docquier, Jean-Denis;Butini, Stefania. And the article was included in Journal of Enzyme Inhibition and Medicinal Chemistry in 2016.Computed Properties of C11H8ClNO2 The following contents are mentioned in the article:
Metallo-β-lactamases (MBLs) represent one of the most important and widespread mechanisms of resistance to β-lactam antibiotics (including the life-saving carbapenems), against which no clin. useful inhibitors are currently available. Here, the authors report a structure-based high-throughput docking campaign on 3 clin.-relevant acquired MBLs (IMP-1, NDM-1 and VIM-2). The initial hit, NF 1810, was optimized providing the broad-spectrum inhibitor , which was able to potentiate the in vitro activity of cefoxitin on a VIM-2-producing Escherichia coli strain. This study involved multiple reactions and reactants, such as 8-Chloro-6-methyl-[1,3]dioxolo[4,5-g]quinoline (cas: 50593-65-2Computed Properties of C11H8ClNO2).
8-Chloro-6-methyl-[1,3]dioxolo[4,5-g]quinoline (cas: 50593-65-2) belongs to dioxole derivatives. Dioxoles, particularly fluorinated dioxoles, are used as co-monomers to make polymers that find use in forming protective coatings for chemical resistance. Although benzodioxole is not particularly important, many related compounds containing the methylenedioxyphenyl group are bioactive, and thus are found in pesticides and pharmaceuticals.Computed Properties of C11H8ClNO2
Referemce:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem