Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery

TB drug development: immunology at the table

(2015) Carl Nathan et al.   IMMUNOLOGICAL REVIEWS

Ligand-Target Prediction by Structural Network Biology Using nAnnoLyze

(2015) Francisco Martínez-Jiménez et al.   PLoS Computational Biology

Acquired Resistance of Mycobacterium tuberculosis to Bedaquiline

(2014) Koen Andries et al.   PLoS One

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

(2013) Lluís Ballell et al.   ChemMedChem

Discovery of Q203, a potent clinical candidate for the treatment of tuberculosis

(2013) Kevin Pethe et al.   NATURE MEDICINE

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

Tetrahydropyrazolo[1,5-a]Pyrimidine-3-Carboxamide and N-Benzyl-6′,7′-Dihydrospiro[Piperidine-4,4′-Thieno[3,2-c]Pyran] Analogues with Bactericidal Efficacy against Mycobacterium tuberculosis Targeting MmpL3

(2013) Modesto J. Remuiñán et al.   PLoS One

Identification of New Drug Targets and Resistance Mechanisms in Mycobacterium tuberculosis

(2013) Thomas R. Ioerger et al.   PLoS One

Why are membrane targets discovered by phenotypic screens and genome sequencing in Mycobacterium tuberculosis?

(2013) Robert C. Goldman   TUBERCULOSIS

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

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

Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity

(2011) Robert J. Young et al.   DRUG DISCOVERY TODAY

Benzothiazinones Are Suicide Inhibitors of Mycobacterial Decaprenylphosphoryl-β-d-ribofuranose 2′-Oxidase DprE1

(2011) Claudia Trefzer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

ProtChemSI: a network of protein-chemical structural interactions

(2011) O. V. Kalinina et al.   NUCLEIC ACIDS RESEARCH

Combinations of Protein-Chemical Complex Structures Reveal New Targets for Established Drugs

(2011) Olga V. Kalinina et al.   PLoS Computational Biology

High-Resolution Phenotypic Profiling Defines Genes Essential for Mycobacterial Growth and Cholesterol Catabolism

(2011) Jennifer E. Griffin et al.   PLoS Pathogens

Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity

(2010) Alan P. Hill et al.   DRUG DISCOVERY TODAY

Extended-Connectivity Fingerprints

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

ProBiS: a web server for detection of structurally similar protein binding sites

(2010) J. Konc et al.   NUCLEIC ACIDS RESEARCH

Macrophage Apoptosis in Tuberculosis

(2009) Jinhee Lee et al.   YONSEI MEDICAL JOURNAL