RT Journal Article
T1 Synthesis of 3-alkyl enol mimics inhibitors of type II dehydroquinase: factors influencing their inhibition potency
A1 Blanco Rodríguez, Beatriz
A1 Sedes, Antía
A1 Peón López, Antonio
A1 Lamb, Heather
A1 Hawkins, Alastair R.
A1 Castedo Expósito, José Luis
A1 González Bello, Concepción
AB Several 3-alkylaryl mimics of the enol intermediate in the reaction catalyzed by type II dehydroquinase were synthesized to investigate the effect on the inhibition potency of replacing the oxygen atom in the side chain by a carbon atom. The length and the rigidity of the spacer was also studied. The inhibitory properties of the reported compounds against type II dehydroquinase from Mycobacterium tuberculosis and Helicobacter pylori are also reported. The binding modes of these analogs in the active site of both enzymes were studied by molecular docking using GOLD 5.0 and dynamic simulations studies
PB Royal Society of Chemistry
SN 1477-0520
YR 2012
FD 2012-03-05
LK http://hdl.handle.net/10347/16924
UL http://hdl.handle.net/10347/16924
LA eng
NO Blanco, B., Sedes, A., Peón, A., Lamb, H., Hawkins, A., Castedo, L., & González-Bello, C. (2012). Synthesis of 3-alkyl enol mimics inhibitors of type II dehydroquinase: factors influencing their inhibition potency. Organic & Biomolecular Chemistry, 10(18), 3662. doi: 10.1039/c2ob07081b
NO Financial support from the Xunta de Galicia (10PXIB2200122PRand GRC2010/12) and the Spanish Ministry of Science andInnovation (SAF2010-15076) is gratefully acknowledged. BB,AS and AP thank the Spanish Ministry of Science andInnovation for FPU fellowships
DS Minerva
RD 3 may 2026