(Q34785012)

4 August 2017

title

In silico screening for Plasmodium falciparum enoyl-ACP reductase inhibitors (English)

1 reference

4 August 2017

main subject

Plasmodium falciparum

0 references

1 reference

5

J Andrew McCammon

1 reference

4 August 2017

Steffen Lindert

1

1 reference

4 August 2017

Lorillee Tallorin

series ordinal

2

1 reference

4 August 2017

Quynh G Nguyen

series ordinal

3

1 reference

4 August 2017

Michael D Burkart

series ordinal

4

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4 August 2017

publication date

25 October 2014

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Journal of Computer - Aided Molecular Design

4 August 2017

published in

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4 August 2017

volume

29

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4 August 2017

issue

1

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4 August 2017

page(s)

79-87

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Infectious disease: Beating the big three

4 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Design, synthesis, and biological and crystallographic evaluation of novel inhibitors of Plasmodium falciparum enoyl-ACP-reductase (PfFabI)

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Farnesyl diphosphate synthase inhibitors from in silico screening

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Novel type II fatty acid biosynthesis (FAS II) inhibitors as multistage antimalarial agents

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

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

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Emerging drugs for malaria

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Poor-quality antimalarial drugs in southeast Asia and sub-Saharan Africa.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Antimalarial drugs and drug targets specific to fatty acid metabolic pathway of Plasmodium falciparum

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Recent clinical and molecular insights into emerging artemisinin resistance in Plasmodium falciparum

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

The next opportunity in anti-malaria drug discovery: the liver stage

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Artemisinin activity against Plasmodium falciparum requires hemoglobin uptake and digestion

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Enoyl acyl carrier protein reductase inhibitors: a patent review (2006 - 2010).

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Structural basis of triclosan resistance

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

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 inhibition

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

A pre-emptive strike against malaria's stealthy hepatic forms

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Structure-based drug design strategies in medicinal chemistry

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

The origin of malignant malaria

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Design and in silico screening of combinatorial library of antimalarial analogs of triclosan inhibiting Plasmodium falciparum enoyl-acyl carrier protein reductase

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Type II fatty acid synthesis is essential only for malaria parasite late liver stage development

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

The Fatty Acid Biosynthesis Enzyme FabI Plays a Key Role in the Development of Liver-Stage Malarial Parasites

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Optimization of high throughput virtual screening by combining shape-matching and docking methods

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Enoyl reductases as targets for the development of anti-tubercular and anti-malarial agents.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Mutational analysis of the triclosan-binding region of enoyl-ACP (acyl-carrier protein) reductase from Plasmodium falciparum

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Tropical infectious diseases: metabolic maps and functions of the Plasmodium falciparum apicoplast

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Structural elucidation of the specificity of the antibacterial agent triclosan for malarial enoyl acyl carrier protein reductase

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Triclosan inhibits the growth of Plasmodium falciparum and Toxoplasma gondii by inhibition of apicomplexan Fab I.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Triclosan offers protection against blood stages of malaria by inhibiting enoyl-ACP reductase of Plasmodium falciparum

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Identification and substrate specificity of beta -ketoacyl (acyl carrier protein) synthase III (mtFabH) from Mycobacterium tuberculosis

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Inhibitor binding studies on enoyl reductase reveal conformational changes related to substrate recognition

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Kinetic and structural characteristics of the inhibition of enoyl (acyl carrier protein) reductase by triclosan

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Broad spectrum antimicrobial biocides target the FabI component of fatty acid synthesis

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Nuclear-encoded proteins target to the plastid in Toxoplasma gondii and Plasmodium falciparum

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

A mechanism of drug action revealed by structural studies of enoyl reductase

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Use of radioactive ethanolamine incorporation into phospholipids to assess in vitro antimalarial activity by the semiautomated microdilution technique

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4278936

Phospholipid biosynthesis in synchronous Plasmodium falciparum cultures

7 July 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9806-3

Inhibition of InhA, the enoyl reductase from Mycobacterium tuberculosis, by triclosan and isoniazid.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9806-3

Discovery of a rhodanine class of compounds as inhibitors of Plasmodium falciparum enoyl-acyl carrier protein reductase

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9806-3

Celastrol inhibits Plasmodium falciparum enoyl-acyl carrier protein reductase

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9806-3

Structural basis for the variation in triclosan affinity to enoyl reductases

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9806-3

Evaluation of enoyl-acyl carrier protein reductase inhibitors as Pseudomonas aeruginosa quorum-quenching reagents.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9806-3

Discovery of novel inhibitors targeting enoyl-acyl carrier protein reductase in Plasmodium falciparum by structure-based virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9806-3

Molecular modeling studies, synthesis, and biological evaluation of Plasmodium falciparum enoyl-acyl carrier protein reductase (PfENR) inhibitors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9806-3

3D-QSAR studies on triclosan derivatives asPlasmodium falciparumenoyl acyl carrier reductase inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9806-3

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9806-3

Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments

21 January 2018

1 reference

12 December 2020

Mechanism of action of the antibiotic thiolactomycin inhibition of fatty acid synthesis of Escherichia coli

1 reference

12 December 2020

Effect of thiolactomycin on the individual enzymes of the fatty acid synthase system in Escherichia coli

1 reference

12 December 2020

Acetoacetyl-acyl carrier protein synthase. A target for the antibiotic thiolactomycin

1 reference

12 December 2020

10.1007/S10822-014-9806-3

Identifiers

DOI

1 reference

journals/jcamd/LindertTNBM15

4 August 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

4 August 2017

1 reference