Virtual screening and optimization yield low-nanomolar inhibitors of the tautomerase activity of Plasmodium falciparum macrophage migration inhibitory factor (Q42367364)

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scientific article published on 26 October 2012

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English	Virtual screening and optimization yield low-nanomolar inhibitors of the tautomerase activity of Plasmodium falciparum macrophage migration inhibitory factor	scientific article published on 26 October 2012

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scholarly article

1 reference

Europe PubMed Central

28 October 2017

Virtual screening and optimization yield low-nanomolar inhibitors of the tautomerase activity of Plasmodium falciparum macrophage migration inhibitory factor (English)

1 reference

Europe PubMed Central

28 October 2017

Plasmodium falciparum

1 reference

based on heuristic

inferred from title

virtual screening

1 reference

based on heuristic

inferred from title

William L. Jorgensen

7

object named as

William L Jorgensen

1 reference

Europe PubMed Central

28 October 2017

Markus K Dahlgren

1

object named as

Markus K Dahlgren

1 reference

Europe PubMed Central

28 October 2017

Julian Tirado-Rives

4

object named as

Julian Tirado-Rives

1 reference

Europe PubMed Central

28 October 2017

6

object named as

Richard Bucala

1 reference

Europe PubMed Central

28 October 2017

author name string

Alvaro Baeza Garcia

2

1 reference

Europe PubMed Central

28 October 2017

Alissa A Hare

3

1 reference

Europe PubMed Central

28 October 2017

Lin Leng

5

1 reference

Europe PubMed Central

28 October 2017

language of work or name

0 references

publication date

26 October 2012

1 reference

Europe PubMed Central

28 October 2017

Journal of Medicinal Chemistry

1 reference

Europe PubMed Central

28 October 2017

55

1 reference

Europe PubMed Central

28 October 2017

22

1 reference

Europe PubMed Central

28 October 2017

10148-10159

1 reference

Europe PubMed Central

28 October 2017

A Plasmodium-encoded cytokine suppresses T-cell immunity during malaria

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

Novel anti-inflammatory activity of epoxyazadiradione against macrophage migration inhibitory factor: inhibition of tautomerase and proinflammatory activities of macrophage migration inhibitory factor

1 reference

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29 May 2018

Methyl effects on protein-ligand binding

1 reference

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29 May 2018

Drug Repositioning and Pharmacophore Identification in the Discovery of Hookworm MIF Inhibitors

1 reference

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29 May 2018

Receptor agonists of macrophage migration inhibitory factor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

E/Z Energetics for Molecular Modeling and Design

1 reference

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29 May 2018

Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF)

1 reference

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29 May 2018

Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast

1 reference

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29 May 2018

New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays

1 reference

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29 May 2018

The crystal structures of macrophage migration inhibitory factor from Plasmodium falciparum and Plasmodium berghei

1 reference

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29 May 2018

Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization

1 reference

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29 May 2018

Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening

1 reference

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29 May 2018

A Leishmania ortholog of macrophage migration inhibitory factor modulates host macrophage responses

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

Characterization of a Plasmodium falciparum macrophage-migration inhibitory factor homologue

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

Functional characterization of the Plasmodium falciparum and P. berghei homologues of macrophage migration inhibitory factor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

ZINC--a free database of commercially available compounds for virtual screening

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

UCSF Chimera--a visualization system for exploratory research and analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

Macrophage migration inhibitory factor and the discovery of tautomerase inhibitors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

Inhibition of macrophage migration inhibitory factor (MIF) tautomerase and biological activities by acetaminophen metabolites

1 reference

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29 May 2018

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

1 reference

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29 May 2018

Crystal structure of macrophage migration inhibitory factor complexed with (E)-2-fluoro-p-hydroxycinnamate at 1.8 A resolution: implications for enzymatic catalysis and inhibition

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

Development and validation of a genetic algorithm for flexible docking

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

Purification, bioactivity, and secondary structure analysis of mouse and human macrophage migration inhibitory factor (MIF).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

29 May 2018

A tautomerase-null macrophage migration-inhibitory factor (MIF) gene knock-in mouse model reveals that protein interactions and not enzymatic activity mediate MIF-dependent growth regulation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

17 August 2018

Detection of Plasmodium falciparum derived macrophage migration inhibitory factor homologue in the sera of malaria patients

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

17 August 2018

Evidence of association of macrophage migration inhibitory factor gene polymorphisms with systemic lupus erythematosus

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3509768

30 September 2018

Arenes to anilines and aryl ethers by sequential iridium-catalyzed borylation and copper-catalyzed coupling

1 reference

https://pubmed.ncbi.nlm.nih.gov/23067344

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/JM301269S

1 reference

Europe PubMed Central

28 October 2017

1 reference

Europe PubMed Central

28 October 2017

1 reference

Europe PubMed Central

28 October 2017

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