Article (Scientific journals)
Discovery of novel inhibitors targeting enoyl-acyl carrier protein reductase in Plasmodium falciparum by structure-based virtual screening.
Nicola, George; Smith, Colin A.; Lucumi Moreno, Edinson et al.
2007In Biochemical and biophysical research communications, 358 (3), p. 686-91
Peer reviewed
 

Files


Full Text
Nicola et al_2007_Discovery of novel inhibitors targeting enoyl–acyl carrier protein reductase in.pdf
Publisher postprint (626.95 kB)
Request a copy

All documents in ORBilu are protected by a user license.

Send to



Details



Keywords :
Animals; Antimalarials/chemistry/pharmacology; Binding Sites; Caco-2 Cells; Crystallography, X-Ray; Drug Design; Drug Evaluation, Preclinical; Enoyl-(Acyl-Carrier-Protein) Reductase (NADH)/antagonists & inhibitors; Humans; Hydrogen Bonding; Kinetics; Malaria/drug therapy; Models, Molecular; Plasmodium falciparum/enzymology; Triclosan/chemistry/pharmacology
Abstract :
[en] There is a dire need for novel therapeutics to treat the virulent malarial parasite, Plasmodium falciparum. Recently, the X-ray crystal structure of enoyl-acyl carrier protein reductase (ENR) in complex with triclosan has been determined and provides an opportunity for the rational design of novel inhibitors targeting the active site of ENR. Here, we report the discovery of several compounds by virtual screening and their experimental validation as high potency PfENR inhibitors.
Disciplines :
Biochemistry, biophysics & molecular biology
Author, co-author :
Nicola, George
Smith, Colin A.
Lucumi Moreno, Edinson ;  University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB)
Kuo, Mack R.
Karagyozov, Luchezar
Fidock, David A.
Sacchettini, James C.
Abagyan, Ruben
Language :
English
Title :
Discovery of novel inhibitors targeting enoyl-acyl carrier protein reductase in Plasmodium falciparum by structure-based virtual screening.
Publication date :
2007
Journal title :
Biochemical and biophysical research communications
ISSN :
0006-291X
Volume :
358
Issue :
3
Pages :
686-91
Peer reviewed :
Peer reviewed
Available on ORBilu :
since 19 May 2014

Statistics


Number of views
179 (3 by Unilu)
Number of downloads
0 (0 by Unilu)

Scopus citations®
 
42
Scopus citations®
without self-citations
41
OpenCitations
 
29
WoS citations
 
38

Bibliography


Similar publications



Contact ORBilu