(Q33605661)

28 July 2017

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title

Structure-based discovery of antibacterial drugs (English)

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28 July 2017

3

Colin W G Fishwick

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Ian Chopra

series ordinal

2

object named as

Ian Chopra

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28 July 2017

Katie J Simmons

1

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28 July 2017

language of work or name

English

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publication date

1 July 2010

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Nature Reviews Microbiology

28 July 2017

published in

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28 July 2017

volume

8

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28 July 2017

issue

7

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28 July 2017

page(s)

501-510

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Exploiting current understanding of antibiotic action for discovery of new drugs.

28 July 2017

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Drugs for bad bugs: confronting the challenges of antibacterial discovery

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Antibacterial discovery and development--the failure of success?

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Lead compounds discovered from libraries

31 March 2020

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L-735,524: the design of a potent and orally bioavailable HIV protease inhibitor

31 March 2020

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Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease

31 March 2020

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Rational design of peptide-based HIV proteinase inhibitors

31 March 2020

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Viracept (nelfinavir mesylate, AG1343): a potent, orally bioavailable inhibitor of HIV-1 protease

31 March 2020

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31 March 2020

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Crystallizing new approaches for antimicrobial drug discovery

31 March 2020

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Identifying and characterizing binding sites and assessing druggability

31 March 2020

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Free resources to assist structure-based virtual ligand screening experiments

31 March 2020

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Structure-based maximal affinity model predicts small-molecule druggability.

31 March 2020

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Surflex-Dock 2.1: robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search

31 March 2020

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FLIPDock: docking flexible ligands into flexible receptors.

31 March 2020

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FlexE: efficient molecular docking considering protein structure variations.

31 March 2020

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Binding mode prediction for a flexible ligand in a flexible pocket using multi-conformation simulated annealing pseudo crystallographic refinement

31 March 2020

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Structure of UDP-N-acetylglucosamine enolpyruvyl transferase, an enzyme essential for the synthesis of bacterial peptidoglycan, complexed with substrate UDP-N-acetylglucosamine and the drug fosfomycin

31 March 2020

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A new view of the mechanisms of UDP-N-acetylglucosamine enolpyruvyl transferase (MurA) and 5-enolpyruvylshikimate-3-phosphate synthase (AroA) derived from X-ray structures of their tetrahedral reaction intermediate states

31 March 2020

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Molecular modeling of protein function regions.

31 March 2020

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All-atom ab initio folding of a diverse set of proteins

31 March 2020

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

31 March 2020

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Protein structure homology modeling using SWISS-MODEL workspace.

31 March 2020

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Automated protein structure homology modeling: a progress report.

31 March 2020

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SWISS-MODEL: An automated protein homology-modeling server

31 March 2020

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CASP3 comparative modeling evaluation

31 March 2020

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Analysis and assessment of comparative modeling predictions in CASP4.

31 March 2020

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Structural studies on bioactive compounds. 34. Design, synthesis, and biological evaluation of triazenyl-substituted pyrimethamine inhibitors of Pneumocystis carinii dihydrofolate reductase

31 March 2020

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Crystal-structure-based design and synthesis of benz[cd]indole-containing inhibitors of thymidylate synthase

31 March 2020

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Seeing is believing: the impact of structural genomics on antimicrobial drug discovery

31 March 2020

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Inhibitors of bacterial tyrosyl tRNA synthetase: synthesis of four stereoisomeric analogues of the natural product SB-219383

31 March 2020

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Synthesis and activity of analogues of SB-219383: novel potent inhibitors of bacterial tyrosyl tRNA synthetase

31 March 2020

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SB-219383, a novel tyrosyl tRNA synthetase inhibitor from a Micromonospora sp. I. Fermentation, isolation and properties

31 March 2020

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Synthetic analogues of SB-219383. Novel C-glycosyl peptides as inhibitors of tyrosyl tRNA synthetase

31 March 2020

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Ensemble modeling of substrate binding to cytochromes P450: analysis of catalytic differences between CYP1A orthologs.

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Assessment of multiple binding modes in ligand-protein docking.

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Ensemble-docking approach on BACE-1: pharmacophore perception and guidelines for drug design

31 March 2020

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Optimal clustering for detecting near-native conformations in protein docking

31 March 2020

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Discovery of new inhibitors of D-alanine:D-alanine ligase by structure-based virtual screening

31 March 2020

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Identification of novel inhibitors of methionyl-tRNA synthetase (MetRS) by virtual screening

31 March 2020

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LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites

31 March 2020

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Drug screening--beyond the bottleneck

31 March 2020

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eHiTS: an innovative approach to the docking and scoring function problems.

31 March 2020

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Structure-based prediction of Mycobacterium tuberculosis shikimate kinase inhibitors by high-throughput virtual screening

31 March 2020

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eHiTS-to-VMD Interface Application. The Search for Tyrosine−tRNA Ligase Inhibitors

31 March 2020

1 reference

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Discovery of new inhibitors of the bacterial peptidoglycan biosynthesis enzymes MurD and MurF by structure-based virtual screening.

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Ligand based virtual screening and biological evaluation of inhibitors of chorismate mutase (Rv1885c) from Mycobacterium tuberculosis H37Rv.

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Structure-based inhibitor design of AccD5, an essential acyl-CoA carboxylase carboxyltransferase domain of Mycobacterium tuberculosis

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Structure-based optimization of cephalothin-analogue boronic acids as β-lactamase inhibitors

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Docking for fragment inhibitors of AmpC -lactamase

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Flux (1): a virtual synthesis scheme for fragment-based de novo design.

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. A promising alternative to random screening

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Molecular complexity analysis of de novo designed ligands.

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

SPROUT: a program for structure generation.

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

SPROUT: recent developments in the de novo design of molecules

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

SPROUT: 3D Structure Generation Using Templates

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Macrocyclic inhibitors of the bacterial cell wall biosynthesis enzyme MurD.

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

A de novo designed inhibitor of D-Ala-D-Ala ligase from E. coli

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Design and synthesis of new hydroxyethylamines as inhibitors of D-alanyl-D-lactate ligase (VanA) and D-alanyl-D-alanine ligase (DdlB).

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Synthesis of de novo designed small-molecule inhibitors of bacterial RNA polymerase

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Structural basis for the interaction of antibiotics with the peptidyl transferase centre in eubacteria

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3.

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Structure-based drug design meets the ribosome

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

The RNA polymerase "switch region" is a target for inhibitors

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Transcription inactivation through local refolding of the RNA polymerase structure

31 March 2020

1 reference

https://api.crossref.org/works/10.1038%2FNRMICRO2349

Screening a peptidyl database for potential ligands to proteins with side-chain flexibility

31 March 2020

1 reference

12 December 2020

New anti-HIV drugs in development

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12 December 2020

Accommodating protein flexibility in computational drug design

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12 December 2020

An update on tetracyclines.

1 reference

12 December 2020

Current application of selective COX-2 inhibitors in cancer prevention and treatment.

1 reference

12 December 2020

Selective inhibitors of cyclooxygenase-2: a growing class of anti-inflammatory drugs.

1 reference

12 December 2020

Identifiers

DOI

10.1038/NRMICRO2349

1 reference

Dimensions Publication ID

28 July 2017

1004804347

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1 reference