New target prediction and visualization tools incorporating open source molecular fingerprints for TB Mobile 2.0

Identification of Novel Inhibitors of Nonreplicating Mycobacterium tuberculosis Using a Carbon Starvation Model

(2013) Sarah Schmidt Grant et al.   ACS Chemical Biology

Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy

(2013) Ramesh R. Kale et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Bayesian Models Leveraging Bioactivity and Cytotoxicity Information for Drug Discovery

(2013) Sean Ekins et al.   CHEMISTRY & BIOLOGY

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

(2013) Lluís Ballell et al.   ChemMedChem

MDR-TB Has New Drug Foe After Fast-Track Approval

(2013) Rebecca Voelker   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

In silico analyses for the discovery of tuberculosis drug targets

(2013) B. K.-S. Chung et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

Structural Basis of Mycobacterial Inhibition by Cyclomarin A

(2013) Dileep Vasudevan et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Discovery of Novel Acetohydroxyacid Synthase Inhibitors as Active Agents against Mycobacterium tuberculosis by Virtual Screening and Bioassay

(2013) Di Wang et al.   Journal of Chemical Information and Modeling

Discovery of New Inhibitors of Mycobacterium tuberculosis InhA Enzyme Using Virtual Screening and a 3D-Pharmacophore-Based Approach

(2013) Ivani Pauli et al.   Journal of Chemical Information and Modeling

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

WHO's 2013 global report on tuberculosis: successes, threats, and opportunities

(2013) Alimuddin Zumla et al.   LANCET

Combining Computational Methods for Hit to Lead Optimization in Mycobacterium Tuberculosis Drug Discovery

(2013) Sean Ekins et al.   PHARMACEUTICAL RESEARCH

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

(2013) Sean Ekins et al.   PLoS One

Identification of New Drug Targets and Resistance Mechanisms in Mycobacterium tuberculosis

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

A novel quinoline derivative that inhibits mycobacterial FtsZ

(2013) Bini Mathew et al.   TUBERCULOSIS

Bayesian models for screening and TB Mobile for target inference with Mycobacterium tuberculosis

(2013) Sean Ekins et al.   TUBERCULOSIS

TB Mobile: a mobile app for anti-tuberculosis molecules with known targets

(2013) Sean Ekins et al.   Journal of Cheminformatics

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

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

Identification of Novel Inhibitors of M. tuberculosis Growth Using Whole Cell Based High-Throughput Screening

(2012) Sarah A. Stanley et al.   ACS Chemical Biology

A High-Throughput Screen To Identify Inhibitors of ATP Homeostasis in Non-replicating Mycobacterium tuberculosis

(2012) Puiying A. Mak et al.   ACS Chemical Biology

Drug resistance-conferring mutations in Mycobacterium tuberculosis from Madang, Papua New Guinea

(2012) Marie Ballif et al.   BMC MICROBIOLOGY

targetTB: A target identification pipeline for Mycobacterium tuberculosis through an interactome, reactome and genome-scale structural analysis

(2012) Karthik Raman et al.   BMC Systems Biology

Identification and validation of a novel lead compound targeting 4-diphosphocytidyl-2-C-methylerythritol synthetase (IspD) of mycobacteria

(2012) Peng Gao et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Biological evaluation of novel substituted chloroquinolines targeting mycobacterial ATP synthase

(2012) Shaheb Raj Khan et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Redefining Cheminformatics with Intuitive Collaborative Mobile Apps

(2012) Alex M. Clark et al.   Molecular Informatics

Open Drug Discovery Teams: A Chemistry Mobile App for Collaboration

(2012) Sean Ekins et al.   Molecular Informatics

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

(2012) Malabika Sarker et al.   PHARMACEUTICAL RESEARCH

Crowd Sourcing a New Paradigm for Interactome Driven Drug Target Identification in Mycobacterium tuberculosis

(2012) Rohit Vashisht et al.   PLoS One

Para-Aminosalicylic Acid Acts as an Alternative Substrate of Folate Metabolism in Mycobacterium tuberculosis

(2012) S. Chakraborty et al.   SCIENCE

Incorporating Green Chemistry Concepts into Mobile Chemistry Applications and Their Potential Uses

(2012) Sean Ekins et al.   ACS Sustainable Chemistry & Engineering

Mobile apps for chemistry in the world of drug discovery

(2011) Antony J. Williams et al.   DRUG DISCOVERY TODAY

Challenges and opportunities in developing novel drugs for TB

(2011) Takushi Kaneko et al.   Future Medicinal Chemistry

Accurate Specification of Molecular Structures: The Case for Zero-Order Bonds and Explicit Hydrogen Counting

(2011) Alex M. Clark   Journal of Chemical Information and Modeling

The global rise of extensively drug-resistant tuberculosis: is the time to bring back sanatoria now overdue?

(2011) Keertan Dheda et al.   LANCET

The challenge of new drug discovery for tuberculosis

(2011) Anil Koul et al.   NATURE

Impact of high-throughput screening in biomedical research

(2011) Ricardo Macarron et al.   NATURE REVIEWS DRUG DISCOVERY

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

(2011) Sean Ekins et al.   PHARMACEUTICAL RESEARCH

High throughput screening of a library based on kinase inhibitor scaffolds against Mycobacterium tuberculosis H37Rv

(2011) Robert C. Reynolds et al.   TUBERCULOSIS

Informatics resources for tuberculosis – Towards drug discovery

(2011) Jagadish Chandrabose Sundaramurthi et al.   TUBERCULOSIS

CoA Adducts of 4-Oxo-4-phenylbut-2-enoates: Inhibitors of MenB from the M. tuberculosis Menaquinone Biosynthesis Pathway

(2011) Xiaokai Li et al.   ACS Medicinal Chemistry Letters

CDK-Taverna: an open workflow environment for cheminformatics

(2010) Thomas Kuhn et al.   BMC BIOINFORMATICS

Extended-Connectivity Fingerprints

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

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

Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery

(2010) Sean Ekins et al.   TRENDS IN MICROBIOLOGY

Leads for antitubercular compounds from kinase inhibitor library screens

(2010) Sophie Magnet et al.   TUBERCULOSIS

TB database 2010: Overview and update

(2010) James E. Galagan et al.   TUBERCULOSIS

Basic primitives for molecular diagram sketching

(2010) Alex M Clark   Journal of Cheminformatics

The Mycobacterium tuberculosis Drugome and Its Polypharmacological Implications

(2010) Sarah L. Kinnings et al.   PLoS Computational Biology

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

(2009) Moses Hohman et al.   DRUG DISCOVERY TODAY

Target Fishing for Chemical Compounds Using Target-Ligand Activity Data and Ranking Based Methods

(2009) Nikil Wale et al.   Journal of Chemical Information and Modeling

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

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

Antituberculosis activity of the molecular libraries screening center network library

(2009) Joseph A. Maddry et al.   TUBERCULOSIS

High-throughput screening for inhibitors of Mycobacterium tuberculosis H37Rv

(2009) Subramaniam Ananthan et al.   TUBERCULOSIS

Drug Discovery Using Chemical Systems Biology: Repositioning the Safe Medicine Comtan to Treat Multi-Drug and Extensively Drug Resistant Tuberculosis

(2009) Sarah L. Kinnings 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