(Q28475676)

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Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis

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scholarly article

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Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis (English)

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multiple drug resistance

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1 reference

ChEBI release 2020-05-28

6

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5

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object named as

Peter J Tonge

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author name string

Sarah L Kinnings

1

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Nina Liu

2

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Nancy Buchmeier

3

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language of work or name

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publication date

July 2009

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PLOS Computational Biology

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5

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e1000423

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7

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copyright license

Creative Commons Attribution 4.0 International

3 July 2009

1 reference

April 2022 Public Data File from Crossref

copyright status

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Drug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitors

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19 March 2017

Network pharmacology: the next paradigm in drug discovery

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19 March 2017

In silico elucidation of the molecular mechanism defining the adverse effect of selective estrogen receptor modulators

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19 March 2017

Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides

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19 March 2017

Mechanism of thioamide drug action against tuberculosis and leprosy

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19 March 2017

eHiTS: a new fast, exhaustive flexible ligand docking system

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19 March 2017

DrugBank: a comprehensive resource for in silico drug discovery and exploration

1 reference

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19 March 2017

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

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

Pathway to synthesis and processing of mycolic acids in Mycobacterium tuberculosis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

The RCSB Protein Data Bank: a redesigned query system and relational database based on the mmCIF schema

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition

1 reference

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19 March 2017

The isoniazid-NAD adduct is a slow, tight-binding inhibitor of InhA, the Mycobacterium tuberculosis enoyl reductase: adduct affinity and drug resistance

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

Signature gene expression profiles discriminate between isoniazid-, thiolactomycin-, and triclosan-treated Mycobacterium tuberculosis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI)

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

Crystal structure of the Mycobacterium tuberculosis enoyl-ACP reductase, InhA, in complex with NAD+ and a C16 fatty acyl substrate

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

19 March 2017

Global mapping of pharmacological space

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

7 April 2017

inhA, a gene encoding a target for isoniazid and ethionamide in Mycobacterium tuberculosis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

7 April 2017

A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

29 September 2017

Discovery of drug-like inhibitors of an essential RNA-editing ligase in Trypanosoma brucei

1 reference

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Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments.

1 reference

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Compound cytotoxicity profiling using quantitative high-throughput screening

1 reference

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1 reference

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29 September 2017

Inhibitors of FabI, an enzyme drug target in the bacterial fatty acid biosynthesis pathway

1 reference

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29 September 2017

A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sites

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

29 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699117

29 September 2017

From magic bullets back to the magic mountain: the rise of extensively drug-resistant tuberculosis

1 reference

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29 September 2017

Multi-target therapeutics: when the whole is greater than the sum of the parts

1 reference

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Innovative lead discovery strategies for tropical diseases

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29 September 2017

Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis

1 reference

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29 September 2017

Selective optimization of side activities: the SOSA approach

1 reference

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29 September 2017

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1 reference

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29 September 2017

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1 reference

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29 September 2017

Selective optimization of side activities: another way for drug discovery

1 reference

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29 September 2017

Tolcapone-related liver dysfunction: implications for use in Parkinson's disease therapy.

1 reference

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29 September 2017

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1 reference

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Differences in toxicity of the catechol-O-methyl transferase inhibitors, tolcapone and entacapone to cultured human neuroblastoma cells

1 reference

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21 January 2018

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

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000423

21 January 2018

Association of mycothiol with protection of Mycobacterium tuberculosis from toxic oxidants and antibiotics

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000423

21 January 2018

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1 reference

https://pubmed.ncbi.nlm.nih.gov/19578428

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains ofMycobacterium tuberculosis

1 reference

https://pubmed.ncbi.nlm.nih.gov/19578428

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1371/JOURNAL.PCBI.1000423

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

DBLP publication ID

journals/ploscb/KinningsLBTXB09

1 reference

DBLP Dataset 2021-01-02

28 January 2021

release_etbdthw3yjcxbpzmbdzbm6gvq4

1 reference

https://api.fatcat.wiki/v0/release/etbdthw3yjcxbpzmbdzbm6gvq4

24 November 2022

based on heuristic

mapped directly with Wikidata item

OpenCitations bibliographic resource ID

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

ResearchGate publication ID

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