Virtual screening to identify lead inhibitors for bacterial NAD synthetase (NADs). (Q39998714)

16 September 2017

Virtual screening to identify lead inhibitors for bacterial NAD synthetase (NADs). (English)

1 reference

16 September 2017

1 reference

Whitney Beysselance Moro

1

1 reference

16 September 2017

Zhengrong Yang

2

1 reference

16 September 2017

Tasha A Kane

3

1 reference

16 September 2017

Christie G Brouillette

4

1 reference

16 September 2017

Wayne J Brouillette

5

1 reference

16 September 2017

language of work or name

English

0 references

publication date

12 February 2009

1 reference

Bioorganic & Medicinal Chemistry Letters

16 September 2017

1 reference

16 September 2017

19

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16 September 2017

7

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16 September 2017

2001-2005

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Signalling inhibitors against Mycobacterium tuberculosis--early days of a new therapeutic concept in tuberculosis.

16 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

From virtuality to reality - Virtual screening in lead discovery and lead optimization: a medicinal chemistry perspective

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Virtual screening and its integration with modern drug design technologies.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Cell-mediated defense against Yersinia pestis infection

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Structural adaptation of an interacting non-native C-terminal helical extension revealed in the crystal structure of NAD+ synthetase from Bacillus anthracis

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Francisella tularensis travels a novel, twisted road within macrophages.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Tethered dimer inhibitors of NAD synthetase: parallel synthesis of an aryl-substituted SAR library.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Consensus scoring criteria for improving enrichment in virtual screening

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Virtual docking approaches to protein kinase B inhibition.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Evaluation of library ranking efficacy in virtual screening

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Comparative study of several algorithms for flexible ligand docking

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

The structure and function of novel proteins of Bacillus anthracis and other spore-forming bacteria: development of novel prophylactic and therapeutic agents

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Lead discovery using molecular docking

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

NH3-dependent NAD+ synthetase from Bacillus subtilis at 1 A resolution

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

How does consensus scoring work for virtual library screening? An idealized computer experiment

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Detailed analysis of scoring functions for virtual screening

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Molecular mechanisms that confer antibacterial drug resistance

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

The search for antimicrobial agents effective against bacteria resistant to multiple antibiotics

22 September 2017

1 reference

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Computer-aided design and synthesis of nonpeptidic plasmepsin II and IV inhibitors

22 September 2017

1 reference

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Antibacterial nicotinamide adenine dinucleotide synthetase inhibitors: amide- and ether-linked tethered dimers with alpha-amino acid end groups.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Identification of potential glycogen kinase-3 inhibitors by structure based virtual screening

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Introduction: antibiotic resistance

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Identification of compounds with nanomolar binding affinity for checkpoint kinase-1 using knowledge-based virtual screening

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Tethered dimers as NAD synthetase inhibitors with antibacterial activity.

20 August 2018

1 reference

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New antibiotics for anthrax?

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

Docking of hydrophobic ligands with interaction-based matching algorithms.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

The outB gene of Bacillus subtilis codes for NAD synthetase.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2666046

20 August 2018

The amidotransferases

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19249205

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Delivering death in the mail

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19249205

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Successful Virtual Screening of a Chemical Database for Farnesyltransferase Inhibitor Leads

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19249205

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.BMCL.2009.02.034

1 reference

16 September 2017

1 reference

16 September 2017

PubMed publication ID

19249205

1 reference