Dynamics of Plasmodium falciparum enoyl-ACP reductase and implications on drug discovery

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Dynamics of Plasmodium falciparum enoyl-ACP reductase and implications on drug discovery is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1002/PRO.2155
P932PMC publication ID3527710
P698PubMed publication ID22969045
P5875ResearchGate publication ID230833489

P50authorJ. Andrew McCammonQ6104601
P2093author name stringSteffen Lindert
P2860cites workBio3d: an R package for the comparative analysis of protein structures.Q46122078
Are there non-trivial dynamic cross-correlations in proteins?Q47879942
Triclosan: applications and safetyQ71531505
Enoyl-Acyl Carrier Protein Reductase (fabI) Plays a Determinant Role in Completing Cycles of Fatty Acid Elongation in Escherichia coliQ71823957
The origin of malignant malariaQ24657620
Kinetic and structural characteristics of the inhibition of enoyl (acyl carrier protein) reductase by triclosanQ27619680
Molecular basis for triclosan activity involves a flipping loop in the active siteQ27620673
Structural elucidation of the specificity of the antibacterial agent triclosan for malarial enoyl acyl carrier protein reductaseQ27637344
Studies ofToxoplasma gondiiandPlasmodium falciparumenoyl acyl carrier protein reductase and implications for the development of antiparasitic agentsQ27643926
X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibitionQ27661938
Structural basis of triclosan resistanceQ27666002
Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from Plasmodium falciparumQ27666619
Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand-bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial TargetQ27666848
The SWISS-MODEL workspace: a web-based environment for protein structure homology modellingQ27860637
UCSF Chimera--a visualization system for exploratory research and analysisQ27860666
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Comparison of multiple Amber force fields and development of improved protein backbone parametersQ27861040
Estimates of the ab initio limit for pi-pi interactions: the benzene dimerQ28220121
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanesQ29397708
POVME: an algorithm for measuring binding-pocket volumesQ30499011
Inhibitors of FabI, an enzyme drug target in the bacterial fatty acid biosynthesis pathwayQ33314589
Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniquesQ33403707
The GROMOS software for biomolecular simulation: GROMOS05.Q34457783
Discovery of a novel binding trench in HIV integrase.Q34546744
Enoyl reductases as targets for the development of anti-tubercular and anti-malarial agents.Q36755772
An improved relaxed complex scheme for receptor flexibility in computer-aided drug designQ36838120
Diversity in enoyl-acyl carrier protein reductasesQ37371673
Molecular dynamics simulations of protein targets identified in Mycobacterium tuberculosisQ37848858
Enoyl acyl carrier protein reductase inhibitors: a patent review (2006 - 2010).Q37886187
Broad spectrum antimicrobial biocides target the FabI component of fatty acid synthesisQ42538502
Slow-tight-binding inhibition of enoyl-acyl carrier protein reductase from Plasmodium falciparum by triclosanQ42807024
Evaluation of enoyl-acyl carrier protein reductase inhibitors as Pseudomonas aeruginosa quorum-quenching reagents.Q43119498
Kinetic determinants of the interaction of enoyl-ACP reductase from Plasmodium falciparum with its substrates and inhibitorsQ43816773
Computational drug design accommodating receptor flexibility: the relaxed complex schemeQ43992973
The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring schemeQ44310443
Structural basis for the variation in triclosan affinity to enoyl reductasesQ45069470
P433issue11
P921main subjectPlasmodium falciparumQ311383
drug discoveryQ1418791
P304page(s)1734-1745
P577publication date2012-10-09
P1433published inProtein ScienceQ7251445
P1476titleDynamics of Plasmodium falciparum enoyl-ACP reductase and implications on drug discovery
P478volume21

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cites work (P2860)
Q93016939Antimalarial Properties of Isoquinoline Derivative from Streptomyces hygroscopicus subsp. Hygroscopicus: An In Silico Approach
Q36729008Celastrol inhibits Plasmodium falciparum enoyl-acyl carrier protein reductase
Q34785012In silico screening for Plasmodium falciparum enoyl-ACP reductase inhibitors
Q34503061POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics
Q28547385Slow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD Simulations

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