(Q34122001)

31 July 2017

title

A collaborative database and computational models for tuberculosis drug discovery (English)

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31 July 2017

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1

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31 July 2017

Justin Bradford

2

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31 July 2017

Krishna Dole

3

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31 July 2017

Anna Spektor

4

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31 July 2017

Kellan Gregory

5

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31 July 2017

David Blondeau

6

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31 July 2017

Moses Hohman

7

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31 July 2017

Barry A Bunin

8

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31 July 2017

publication date

9 February 2010

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31 July 2017

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31 July 2017

volume

6

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31 July 2017

issue

5

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31 July 2017

page(s)

840-851

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Is there a difference between leads and drugs? A historical perspective

31 July 2017

cites work

1 reference

Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness, and enzyme inhibition predictions

21 January 2018

1 reference

Development of a method for evaluating drug-likeness and ease of synthesis using a data set in which compounds are assigned scores based on chemists' intuition

21 January 2018

1 reference

Structure-Based Classification of Antibacterial Activity

21 January 2018

1 reference

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

21 January 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.2174/138161206777585274

LMSD: LIPID MAPS structure database

30 October 2021

1 reference

2 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1093/NAR/GKL838

The magic bullets and tuberculosis drug targets.

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Mold(2), molecular descriptors from 2D structures for chemoinformatics and toxicoinformatics

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Computational discovery of novel low micromolar human pregnane X receptor antagonists

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Novel chemical space exploration via natural products

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Chemometric Methodologies in a Quantitative Structure−Activity Relationship Study: The Antibacterial Activity of 6-Aminoquinolones

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Global Bayesian models for the prioritization of antitubercular agents

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

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

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Discovery of novel nitrobenzothiazole inhibitors for Mycobacterium tuberculosis ATP phosphoribosyl transferase (HisG) through virtual screening

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

High-throughput screening for inhibitors of Mycobacterium tuberculosis H37Rv

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Benzothiazinones kill Mycobacterium tuberculosis by blocking arabinan synthesis

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Development of a virtual screening method for identification of "frequent hitters" in compound libraries

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

ALARM NMR: a rapid and robust experimental method to detect reactive false positives in biochemical screens

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Novel inhibitors of human organic cation/carnitine transporter (hOCTN2) via computational modeling and in vitro testing

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Drug-like properties and the causes of poor solubility and poor permeability

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Mapping adverse drug reactions in chemical space.

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Prediction of 'drug-likeness'.

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Use of genomics and combinatorial chemistry in the development of new antimycobacterial drugs

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Scaffold hopping through virtual screening using 2D and 3D similarity descriptors: ranking, voting, and consensus scoring

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Fishing the target of antitubercular compounds: in silico target deconvolution model development and validation

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Gaining insight into off-target mediated effects of drug candidates with a comprehensive systems chemical biology analysis.

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Using extended-connectivity fingerprints with Laplacian-modified Bayesian analysis in high-throughput screening follow-up

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Toxicological evaluation of thiol-reactive compounds identified using a la assay to detect reactive molecules by nuclear magnetic resonance

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Predicting undesirable drug interactions with promiscuous proteins in silico

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Computational methods for the prediction of 'drug-likeness'

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Drugs for bad bugs: confronting the challenges of antibacterial discovery

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Novel dual-targeting benzimidazole urea inhibitors of DNA gyrase and topoisomerase IV possessing potent antibacterial activity: intelligent design and evolution through the judicious use of structure-guided design and structure-activity relationship

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Modification of the NADH of the isoniazid target (InhA) from Mycobacterium tuberculosis

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

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

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Acid resistance in Mycobacterium tuberculosis

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Structure-activity relationships of antitubercular nitroimidazoles. 2. Determinants of aerobic activity and quantitative structure-activity relationships

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Novel web-based tools combining chemistry informatics, biology and social networks for drug discovery

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Mechanisms of action of isoniazid

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Descriptors, physical properties, and drug-likeness.

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Cheminformatics analysis and learning in a data pipelining environment

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Dequalinium, a new inhibitor of Mycobacterium tuberculosis mycothiol ligase identified by high-throughput screening

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

HMDB: the Human Metabolome Database

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

A perspective of publicly accessible/open-access chemistry databases

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Analysis of the calculated physicochemical properties of respiratory drugs: can we design for inhaled drugs yet?

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Current trends in lead discovery: are we looking for the appropriate properties?

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Improved naïve Bayesian modeling of numerical data for absorption, distribution, metabolism and excretion (ADME) property prediction

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

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

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Computational approaches that predict metabolic intermediate complex formation with CYP3A4 (+b5).

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

New small-molecule synthetic antimycobacterials

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Rapid Identification of P-glycoprotein Substrates and Inhibitors

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

KEGG: kyoto encyclopedia of genes and genomes

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

PA-824 kills nonreplicating Mycobacterium tuberculosis by intracellular NO release

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

In vitro and pharmacophore-based discovery of novel hPEPT1 inhibitors

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

A virtual screening approach for thymidine monophosphate kinase inhibitors as antitubercular agents based on docking and pharmacophore models

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

The importance of discerning shape in molecular pharmacology

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Physicochemical properties of antibacterial compounds: implications for drug discovery

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Antituberculosis activity of the molecular libraries screening center network library

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Rising standards for tuberculosis drug development

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Generation of a set of simple, interpretable ADMET rules of thumb

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

SHED: Shannon Entropy Descriptors from Topological Feature Distributions

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1039/B917766C

Identifiers

DOI

10.1039/B917766C

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31 July 2017

1 reference