| Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery. | |
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MedLine Citation:
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PMID: 21129975 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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We are witnessing the growing menace of both increasing cases of drug-sensitive and drug-resistant Mycobacterium tuberculosis strains and the challenge to produce the first new tuberculosis (TB) drug in well over 40 years. The TB community, having invested in extensive high-throughput screening efforts, is faced with the question of how to optimally leverage these data to move from a hit to a lead to a clinical candidate and potentially, a new drug. Complementing this approach, yet conducted on a much smaller scale, cheminformatic techniques have been leveraged and are examined in this review. We suggest that these computational approaches should be optimally integrated within a workflow with experimental approaches to accelerate TB drug discovery. |
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Authors:
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Sean Ekins; Joel S Freundlich; Inhee Choi; Malabika Sarker; Carolyn Talcott |
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Publication Detail:
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Type: Journal Article; Research Support, N.I.H., Extramural; Review Date: 2010-12-02 |
Journal Detail:
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Title: Trends in microbiology Volume: 19 ISSN: 1878-4380 ISO Abbreviation: Trends Microbiol. Publication Date: 2011 Feb |
Date Detail:
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Created Date: 2011-02-07 Completed Date: 2011-03-11 Revised Date: 2013-05-27 |
Medline Journal Info:
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Nlm Unique ID: 9310916 Medline TA: Trends Microbiol Country: England |
Other Details:
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Languages: eng Pagination: 65-74 Citation Subset: IM |
Copyright Information:
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Copyright © 2010 Elsevier Ltd. All rights reserved. |
Affiliation:
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Collaborations in Chemistry, 601 Runnymede Avenue, Jenkintown, PA 19046, USA. ekinssean@yahoo.com |
Export Citation:
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APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
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Antitubercular Agents
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chemistry*,
pharmacology* Databases, Factual Drug Discovery* High-Throughput Screening Assays Humans Mycobacterium tuberculosis / drug effects |
| Grant Support | |
ID/Acronym/Agency:
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R41 AI088893-01/AI/NIAID NIH HHS; R41AI088893/AI/NIAID NIH HHS |
| Chemical | |
Reg. No./Substance:
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0/Antitubercular Agents |
| Comments/Corrections | |
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