A Multilayer Network Approach for Guiding Drug Repositioning in Neglected Diseases

Network-based gene prediction for Plasmodium falciparum malaria towards genetics-based drug discovery

(2015) Yang Chen et al.   BMC GENOMICS

The promise and peril of chemical probes

(2015) Cheryl H Arrowsmith et al.   Nature Chemical Biology

Neglected Tropical Diseases in the Post-Genomic Era

(2015) Carlos A. Buscaglia et al.   TRENDS IN GENETICS

New Compound Sets Identified from High Throughput Phenotypic Screening Against Three Kinetoplastid Parasites: An Open Resource

(2015) Imanol Peña et al.   Scientific Reports

Large-Scale Chemical Similarity Networks for Target Profiling of Compounds Identified in Cell-Based Chemical Screens

(2015) Yu-Chen Lo et al.   PLoS Computational Biology

Ligand-Target Prediction by Structural Network Biology Using nAnnoLyze

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

The Fasciola hepatica genome: gene duplication and polymorphism reveals adaptation to the host environment and the capacity for rapid evolution

(2015) Krystyna Cwiklinski et al.   GENOME BIOLOGY

Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning

(2015) Marcel Kaiser et al.   PLoS One

InterProScan 5: genome-scale protein function classification

(2014) P. Jones et al.   BIOINFORMATICS

Probabilistic drug connectivity mapping

(2014) Juuso A Parkkinen et al.   BMC BIOINFORMATICS

Isoprenoid Biosynthesis in Plasmodium falciparum

(2014) Ann M. Guggisberg et al.   EUKARYOTIC CELL

Design and Synthesis of High Affinity Inhibitors of Plasmodium falciparum and Plasmodium vivax N-Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (LELP)

(2014) Mark D. Rackham et al.   JOURNAL OF MEDICINAL CHEMISTRY

Polypharmacology: Challenges and Opportunities in Drug Discovery

(2014) Andrew Anighoro et al.   JOURNAL OF MEDICINAL CHEMISTRY

Drug Development and FDA Approval, 1938–2013

(2014) Jonathan J. Darrow et al.   NEW ENGLAND JOURNAL OF MEDICINE

DINIES: drug–target interaction network inference engine based on supervised analysis

(2014) Yoshihiro Yamanishi et al.   NUCLEIC ACIDS RESEARCH

Genetic Profiling of the Isoprenoid and Sterol Biosynthesis Pathway Genes of Trypanosoma cruzi

(2014) Raúl O. Cosentino et al.   PLoS One

Drug–target interaction prediction through domain-tuned network-based inference

(2013) Salvatore Alaimo et al.   BIOINFORMATICS

Development of a triclosan scaffold which allows for adaptations on both the A- and B-ring for transport peptides

(2013) Stephen P. Muench et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Design, Synthesis, Structural Characterization by IR,1H,13C,15N, 2D-NMR, X-Ray Diffraction and Evaluation of a New Class of Phenylaminoacetic Acid Benzylidene Hydrazines aspfENR Inhibitors

(2013) Ramanuj P. Samal et al.   Chemical Biology & Drug Design

Novel Type II Fatty Acid Biosynthesis (FAS II) Inhibitors as Multistage Antimalarial Agents

(2013) Florian C. Schrader et al.   ChemMedChem

Network-Based Approaches in Drug Discovery and Early Development

(2013) J M Harrold et al.   CLINICAL PHARMACOLOGY & THERAPEUTICS

Toward better drug repositioning: prioritizing and integrating existing methods into efficient pipelines

(2013) Guangxu Jin et al.   DRUG DISCOVERY TODAY

Computational Profiling of Bioactive Compounds Using a Target-Dependent Composite Workflow

(2013) Jamel Meslamani et al.   Journal of Chemical Information and Modeling

Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI)

(2013) Federica Belluti et al.   JOURNAL OF MEDICINAL CHEMISTRY

Synthesis and Structure–Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum

(2013) Komagal Kannan Sivaraman et al.   JOURNAL OF MEDICINAL CHEMISTRY

Inositol 1,4,5-trisphosphate receptor regulates replication, differentiation, infectivity and virulence of the parasitic protistTrypanosoma cruzi

(2013) Muneaki Hashimoto et al.   MOLECULAR MICROBIOLOGY

Enzymes involved in plastid-targeted phosphatidic acid synthesis are essential forPlasmodium yoeliiliver-stage development

(2013) Scott E. Lindner et al.   MOLECULAR MICROBIOLOGY

Characterization of drug-induced transcriptional modules: towards drug repositioning and functional understanding

(2013) M. Iskar et al.   Molecular Systems Biology

The genomes of four tapeworm species reveal adaptations to parasitism

(2013) Isheng J. Tsai et al.   NATURE

Validation of N-myristoyltransferase as an antimalarial drug target using an integrated chemical biology approach

(2013) Megan H. Wright et al.   Nature Chemistry

Genomics of Loa loa, a Wolbachia-free filarial parasite of humans

(2013) Christopher A Desjardins et al.   NATURE GENETICS

DrugBank 4.0: shedding new light on drug metabolism

(2013) Vivian Law et al.   NUCLEIC ACIDS RESEARCH

N-Myristoyltransferase as a potential drug target in malaria and leishmaniasis

(2013) EDWARD W. TATE et al.   PARASITOLOGY

The Open Access Malaria Box: A Drug Discovery Catalyst for Neglected Diseases

(2013) Thomas Spangenberg et al.   PLoS One

Predicting Drug-Target Interactions for New Drug Compounds Using a Weighted Nearest Neighbor Profile

(2013) Twan van Laarhoven et al.   PLoS One

Drug Target Prediction and Repositioning Using an Integrated Network-Based Approach

(2013) Dorothea Emig et al.   PLoS One

Acidocalcisomes of Trypanosoma brucei have an inositol 1,4,5-trisphosphate receptor that is required for growth and infectivity

(2013) G. Huang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Challenges and opportunities of drug repositioning

(2013) Natalia Novac   TRENDS IN PHARMACOLOGICAL SCIENCES

Synthesis and biological evaluation of 2,3-diarylimidazo[1,2-a]pyridines as antileishmanial agents

(2012) Sophie Marhadour et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

The stepwise selection for ketoconazole resistance induces upregulation of C14-demethylase (CYP51) in Leishmania amazonensis

(2012) Valter Viana Andrade-Neto et al.   MEMORIAS DO INSTITUTO OSWALDO CRUZ

Fingerprinting the Substrate Specificity of M1 and M17 Aminopeptidases of Human Malaria, Plasmodium falciparum

(2012) Marcin Poreba et al.   PLoS One

Global Analysis of Small Molecule Binding to Related Protein Targets

(2012) Felix A. Kruger et al.   PLoS Computational Biology

Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference

(2012) Feixiong Cheng et al.   PLoS Computational Biology

Critical importance of the de novo pyrimidine biosynthesis pathway for Trypanosoma cruzi growth in the mammalian host cell cytoplasm

(2011) Muneaki Hashimoto et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

The role of indirect connections in gene networks in predicting function

(2011) Jesse Gillis et al.   BIOINFORMATICS

Methylenebissantin: A rare methylene-bridged bisflavonoid from Dodonaea viscosa which inhibits Plasmodium falciparum enoyl-ACP reductase

(2011) Akhtar Muhammad et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Old friends in new guise: repositioning of known drugs with structural bioinformatics

(2011) V. J. Haupt et al.   BRIEFINGS IN BIOINFORMATICS

Target Validation: Linking Target and Chemical Properties to Desired Product Profile

(2011) Paul G. Wyatt et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Drug discovery for neglected tropical diseases at the Sandler Center

(2011) Stephanie A Robertson et al.   Future Medicinal Chemistry

Target repurposing for neglected diseases

(2011) Michael P Pollastri et al.   Future Medicinal Chemistry

Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer

(2011) Daniel P. Sutherlin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Analysis of multiple compound-protein interactions reveals novel bioactive molecules

(2011) H. Yabuuchi et al.   Molecular Systems Biology

TDR Targets: a chemogenomics resource for neglected diseases

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

KEGG for integration and interpretation of large-scale molecular data sets

(2011) M. Kanehisa et al.   NUCLEIC ACIDS RESEARCH

ChEMBL: a large-scale bioactivity database for drug discovery

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

Bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases

(2011) M. B. Harbut et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework

(2010) Y. Yamanishi et al.   BIOINFORMATICS

When is Chemical Similarity Significant? The Statistical Distribution of Chemical Similarity Scores and Its Extreme Values

(2010) Pierre Baldi et al.   Journal of Chemical Information and Modeling

Protein kinase A catalytic subunit interacts and phosphorylates members of trans-sialidase super-family in Trypanosoma cruzi

(2010) Yi Bao et al.   MICROBES AND INFECTION

Functionality Pattern Matching as an Efficient Complementary Structure/Reaction Search Tool: an Open-Source Approach

(2010) Norbert Haider   MOLECULES

Thousands of chemical starting points for antimalarial lead identification

(2010) Francisco-Javier Gamo et al.   NATURE

Chemical genetics of Plasmodium falciparum

(2010) W. Armand Guiguemde et al.   NATURE

Rethinking screening

(2010) Thomas Kodadek   Nature Chemical Biology

Discovery of drug mode of action and drug repositioning from transcriptional responses

(2010) F. Iorio et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Identification of Attractive Drug Targets in Neglected-Disease Pathogens Using an In Silico Approach

(2010) Gregory J. Crowther et al.   PLoS Neglected Tropical Diseases

The TryPIKinome of five human pathogenic trypanosomatids: Trypanosoma brucei, Trypanosoma cruzi, Leishmania major, Leishmania braziliensis and Leishmania infantum – New tools for designing specific inhibitors

(2009) Diana Bahia et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Crystal Structures of Trypanosoma brucei Sterol 14α-Demethylase and Implications for Selective Treatment of Human Infections

(2009) Galina I. Lepesheva et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

Plasmodium falciparum neutral aminopeptidases: new targets for anti-malarials

(2009) Tina S. Skinner-Adams et al.   TRENDS IN BIOCHEMICAL SCIENCES

Draft Genome Sequencing of Giardia intestinalis Assemblage B Isolate GS: Is Human Giardiasis Caused by Two Different Species?

(2009) Oscar Franzén et al.   PLoS Pathogens

Synthesis and in vitro antimycobacterial activity of B-ring modified diaryl ether InhA inhibitors

(2008) Christopher W. am Ende et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Role of Protein Kinase A in Trypanosoma cruzi

(2008) Y. Bao et al.   INFECTION AND IMMUNITY

ATrypanosoma cruziPhosphatidylinositol 3-Kinase (TcVps34) Is Involved in Osmoregulation and Receptor-mediated Endocytosis

(2008) Alejandra C. Schoijet et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Identification of a nonkinase target mediating cytotoxicity of novel kinase inhibitors

(2008) P. Ross-Macdonald et al.   MOLECULAR CANCER THERAPEUTICS

Genomic-scale prioritization of drug targets: the TDR Targets database

(2008) Fernán Agüero et al.   NATURE REVIEWS DRUG DISCOVERY

Drug Target Identification Using Side-Effect Similarity

(2008) M. Campillos et al.   SCIENCE