Combining Cheminformatics Methods and Pathway Analysis to Identify Molecules with Whole-Cell Activity Against Mycobacterium Tuberculosis

glpX Gene of Mycobacterium tuberculosis: Heterologous Expression, Purification, and Enzymatic Characterization of the Encoded Fructose 1,6-bisphosphatase II

(2011) Hiten J. Gutka et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

In silico repositioning of approved drugs for rare and neglected diseases

(2011) Sean Ekins et al.   DRUG DISCOVERY TODAY

Validating New Tuberculosis Computational Models with Public Whole Cell Screening Aerobic Activity Datasets

(2011) Sean Ekins et al.   PHARMACEUTICAL RESEARCH

Essential Metabolites of Mycobacterium tuberculosis and Their Mimics

(2011) G. Lamichhane et al.   mBio

When pharmaceutical companies publish large datasets: an abundance of riches or fool's gold?

(2010) Sean Ekins et al.   DRUG DISCOVERY TODAY

Genetic Requirements for the Survival of Tubercle Bacilli in Primates

(2010) Noton K. Dutta et al.   JOURNAL OF INFECTIOUS DISEASES

Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis

(2010) Sean Ekins et al.   Molecular BioSystems

A collaborative database and computational models for tuberculosis drug discovery

(2010) Sean Ekins et al.   Molecular BioSystems

Thousands of chemical starting points for antimalarial lead identification

(2010) Francisco-Javier Gamo et al.   NATURE

Virtual screening: an endless staircase?

(2010) Gisbert Schneider   NATURE REVIEWS DRUG DISCOVERY

Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery

(2010) Sean Ekins et al.   TRENDS IN MICROBIOLOGY

TB database 2010: Overview and update

(2010) James E. Galagan et al.   TUBERCULOSIS

Meta-analysis of molecular property patterns and filtering of public datasets of antimalarial “hits” and drugs

(2010) Sean Ekins et al.   MedChemComm

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

(2009) Moses Hohman et al.   DRUG DISCOVERY TODAY

Fishing the Target of Antitubercular Compounds:In SilicoTarget Deconvolution Model Development and Validation

(2009) Philip Prathipati et al.   JOURNAL OF PROTEOME RESEARCH

Computational Models for Drug Inhibition of the Human Apical Sodium-Dependent Bile Acid Transporter

(2009) Xiaowan Zheng et al.   MOLECULAR PHARMACEUTICS

Antituberculosis activity of the molecular libraries screening center network library

(2009) Joseph A. Maddry et al.   TUBERCULOSIS

New anti-tuberculosis agents amongst known drugs

(2009) Kathryn E.A. Lougheed et al.   TUBERCULOSIS

High-throughput screening for inhibitors of Mycobacterium tuberculosis H37Rv

(2009) Subramaniam Ananthan et al.   TUBERCULOSIS

A Mapping of Drug Space from the Viewpoint of Small Molecule Metabolism

(2009) James Corey Adams et al.   PLoS Computational Biology

TB database: an integrated platform for tuberculosis research

(2008) T. B. K. Reddy et al.   NUCLEIC ACIDS RESEARCH

Rising standards for tuberculosis drug development

(2008) Tanjore S. Balganesh et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Drugs versus bugs: in pursuit of the persistent predator Mycobacterium tuberculosis

(2007) James C. Sacchettini et al.   NATURE REVIEWS MICROBIOLOGY