Mycobacterial Dihydrofolate Reductase Inhibitors Identified Using Chemogenomic Methods and In Vitro Validation

Fueling Open-Source Drug Discovery: 177 Small-Molecule Leads against Tuberculosis

(2013) Lluís Ballell et al.   ChemMedChem

para-Aminosalicylic Acid Is a Prodrug Targeting Dihydrofolate Reductase inMycobacterium tuberculosis

(2013) Jun Zheng et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Fusing Dual-Event Data Sets for Mycobacterium tuberculosis Machine Learning Models and Their Evaluation

(2013) Sean Ekins et al.   Journal of Chemical Information and Modeling

The ChEMBL bioactivity database: an update

(2013) A. Patrícia Bento et al.   NUCLEIC ACIDS RESEARCH

Identification of Novel Imidazo[1,2-a]pyridine Inhibitors Targeting M. tuberculosis QcrB

(2013) Katherine A. Abrahams et al.   PLoS One

Enhancing Hit Identification in Mycobacterium tuberculosis Drug Discovery Using Validated Dual-Event Bayesian Models

(2013) Sean Ekins et al.   PLoS One

Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs

(2013) Marcio Vinicius Bertacine Dias et al.   STRUCTURE

Target Prediction for an Open Access Set of Compounds Active against Mycobacterium tuberculosis

(2013) Francisco Martínez-Jiménez et al.   PLoS Computational Biology

Surveillance of anti-tuberculosis drug resistance in the world: an updated analysis, 2007–2010

(2012) Matteo Zignol et al.   BULLETIN OF THE WORLD HEALTH ORGANIZATION

Docking and scoring with ICM: the benchmarking results and strategies for improvement

(2012) Marco A. C. Neves et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Molecular Fingerprint-Based Artificial Neural Networks QSAR for Ligand Biological Activity Predictions

(2012) Kyaw-Zeyar Myint et al.   MOLECULAR PHARMACEUTICS

Comparing bioassay response and similarity ensemble approaches to probing protein pharmacology

(2011) Bin Chen et al.   BIOINFORMATICS

TDR Targets: a chemogenomics resource for neglected diseases

(2011) M. P. Magarinos et al.   NUCLEIC ACIDS RESEARCH

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation

(2010) Cele Abad-Zapatero et al.   DRUG DISCOVERY TODAY

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

A chemogenomics view on protein-ligand spaces

(2009) Helena Strömbergsson et al.   BMC BIOINFORMATICS

In silico structure-based design of a novel class of potent and selective small peptide inhibitor of Mycobacterium tuberculosis Dihydrofolate reductase, a potential target for anti-TB drug discovery

(2009) Manoj Kumar et al.   MOLECULAR DIVERSITY

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

Prediction of drug-target interaction networks from the integration of chemical and genomic spaces

(2008) Y. Yamanishi et al.   BIOINFORMATICS