(Q41103702)

English

Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization

scientific article published on 8 April 2015

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scholarly article

1 reference

Europe PubMed Central

26 September 2017

Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization (English)

1 reference

Europe PubMed Central

26 September 2017

Stanislav Gobec

object named as

Stanislav Gobec

7

0 references

object named as

Gerhard Wolber

9

0 references

object named as

Andrej Perdih

1

0 references

Simona Golič Grdadolnik

object named as

Simona Golič Grdadolnik

5

0 references

author name string

Martina Hrast

2

1 reference

Europe PubMed Central

26 September 2017

Kaja Pureber

3

1 reference

Europe PubMed Central

26 September 2017

Hélène Barreteau

4

1 reference

Europe PubMed Central

26 September 2017

Darko Kocjan

6

1 reference

Europe PubMed Central

26 September 2017

Tom Solmajer

8

1 reference

Europe PubMed Central

26 September 2017

language of work or name

1 reference

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inferred from title

publication date

8 April 2015

1 reference

Europe PubMed Central

26 September 2017

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

26 September 2017

29

1 reference

Europe PubMed Central

26 September 2017

6

1 reference

Europe PubMed Central

26 September 2017

541-560

1 reference

Europe PubMed Central

26 September 2017

https://scigraph.springernature.com/pub.10.1007/s10822-015-9843-6

0 references

Does the cell wall of bacteria remain a viable source of targets for novel antibiotics?

1 reference

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21 January 2018

New targets and screening approaches in antimicrobial drug discovery

1 reference

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21 January 2018

Challenges of antibacterial discovery

1 reference

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21 January 2018

Peptidoglycan structure and architecture

1 reference

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21 January 2018

MurD enzymes: some recent developments

1 reference

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21 January 2018

Structure, function and dynamics in the mur family of bacterial cell wall ligases

1 reference

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21 January 2018

"Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase

1 reference

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21 January 2018

Targeted molecular dynamics simulation studies of binding and conformational changes in E. coli MurD.

1 reference

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21 January 2018

Determination of the MurD mechanism through crystallographic analysis of enzyme complexes

1 reference

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21 January 2018

Kinetic mechanism of the Escherichia coli UDPMurNAc-tripeptide D-alanyl-D-alanine-adding enzyme: use of a glutathione S-transferase fusion.

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21 January 2018

Evaluation of the kinetic mechanism of Escherichia coli uridine diphosphate-N-acetylmuramate:L-alanine ligase.

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21 January 2018

MurD ligase from E. coli: Tetrahedral intermediate formation study by hybrid quantum mechanical/molecular mechanical replica path method.

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21 January 2018

Structure and function of the Mur enzymes: development of novel inhibitors

1 reference

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Second-generation sulfonamide inhibitors of D-glutamic acid-adding enzyme: activity optimisation with conformationally rigid analogues of D-glutamic acid

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21 January 2018

Structural and functional characterization of enantiomeric glutamic acid derivatives as potential transition state analogue inhibitors of MurD ligase

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Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.

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Binding free energy calculations of N-sulphonyl-glutamic acid inhibitors of MurD ligase

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Molecular dynamics simulation and linear interaction energy study of D-Glu-based inhibitors of the MurD ligase

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Inhibitor design strategy based on an enzyme structural flexibility: a case of bacterial MurD ligase.

1 reference

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21 January 2018

Discovery of novel benzene 1,3-dicarboxylic acid inhibitors of bacterial MurD and MurE ligases by structure-based virtual screening approach

1 reference

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21 January 2018

Kinase inhibitors: not just for kinases anymore

1 reference

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21 January 2018

LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters

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21 January 2018

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

1 reference

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21 January 2018

DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets.

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21 January 2018

Development and validation of a genetic algorithm for flexible docking

1 reference

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21 January 2018

Benzene-1,3-dicarboxylic acid 2,5-dimethylpyrrole derivatives as multiple inhibitors of bacterial Mur ligases (MurC-MurF).

1 reference

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21 January 2018

On-line monitoring of intracellular ATP concentration in Escherichia coli fermentations.

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21 January 2018

A novel method for measurement of submembrane ATP concentration.

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21 January 2018

The contents of adenine nucleotides, phosphagens and some glycolytic intermediates in resting muscles from vertebrates and invertebrates

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21 January 2018

Q: a molecular dynamics program for free energy calculations and empirical valence bond simulations in biomolecular systems.

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21 January 2018

Ligand binding affinities from MD simulations.

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21 January 2018

Undecaprenyl diphosphate synthase inhibitors: antibacterial drug leads

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21 January 2018

Discovery of Novel Putative Inhibitors of UDP-GlcNAc 2-Epimerase as Potent Antibacterial Agents.

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21 January 2018

Rhodanine as a privileged scaffold in drug discovery

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21 January 2018

Chemistry: Chemical con artists foil drug discovery

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21 January 2018

Furanyl-rhodanines are unattractive drug candidates for development as inhibitors of bacterial RNA polymerase

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21 January 2018

Rhodanine as a scaffold in drug discovery: a critical review of its biological activities and mechanisms of target modulation.

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Epalrestat: an aldose reductase inhibitor for the treatment of diabetic neuropathy

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Efficient overlay of small organic molecules using 3D pharmacophores

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

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Comparison of simple potential functions for simulating liquid water

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VMD: visual molecular dynamics

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Large-scale preparation, purification, and crystallization of UDP-N-acetylmuramoyl-L-alanine: D-glutamate ligase from Escherichia coli.

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An improved assay for nanomole amounts of inorganic phosphate

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In silico discovery and biophysical evaluation of novel 5-(2-hydroxybenzylidene) rhodanine inhibitors of DNA gyrase B

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Identifiers

10.1007/S10822-015-9843-6

1 reference

Europe PubMed Central

26 September 2017

DBLP publication ID

journals/jcamd/PerdihHPBGKGSW15

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

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release_4bddpdzjxvgwjph25ooehh57iq

1 reference

https://api.fatcat.wiki/v0/release/4bddpdzjxvgwjph25ooehh57iq

24 November 2022

based on heuristic

mapped directly with Wikidata item

1 reference

Europe PubMed Central

26 September 2017

ResearchGate publication ID

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