Deorphaning Pyrrolopyrazines as Potent Multi-Target Antimalarial Agents

Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

(2014) D. Reker et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for ‘Orphan’ Molecules

(2013) Michael Reutlinger et al.   Molecular Informatics

Targeting Plasmodium PI(4)K to eliminate malaria

(2013) Case W. McNamara et al.   NATURE

Common non-epigenetic drugs as epigenetic modulators

(2013) Jörn Lötsch et al.   TRENDS IN MOLECULAR MEDICINE

New antibiotics for bad bugs: where are we?

(2013) Matteo Bassetti et al.   Annals of Clinical Microbiology and Antimicrobials

Prediction of the P. falciparum Target Space Relevant to Malaria Drug Discovery

(2013) Andreas Spitzmüller et al.   PLoS Computational Biology

Global malaria mortality between 1980 and 2010: a systematic analysis

(2012) Christopher JL Murray et al.   LANCET

Mapping the genome of Plasmodium falciparum on the drug-like chemical space reveals novel anti-malarial targets and potential drug leads

(2012) Kasper Jensen et al.   Molecular BioSystems

Finding the sweet spot: the role of nature and nurture in medicinal chemistry

(2012) Michael M. Hann et al.   NATURE REVIEWS DRUG DISCOVERY

Agrochemicals against Malaria, Sleeping Sickness, Leishmaniasis and Chagas Disease

(2012) Matthias Witschel et al.   PLoS Neglected Tropical Diseases

Global kinomic and phospho-proteomic analyses of the human malaria parasite Plasmodium falciparum

(2011) Lev Solyakov et al.   Nature Communications

Architectural Repertoire of Ligand-Binding Pockets on Protein Surfaces

(2010) Martin Weisel et al.   CHEMBIOCHEM

Self-organizing molecular fingerprints: a ligand-based view on drug-like chemical space and off-target prediction

(2010) Gisbert Schneider et al.   Future Medicinal Chemistry

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

Self-Organizing Fuzzy Graphs for Structure-Based Comparison of Protein Pockets

(2010) Felix Reisen et al.   JOURNAL OF PROTEOME RESEARCH

Target Profile Prediction: Cross-Activation of Peroxisome Proliferator-Activated Receptor (PPAR) and Farnesoid X Receptor (FXR)

(2010) Ramona Steri et al.   Molecular Informatics

Thousands of chemical starting points for antimalarial lead identification

(2010) Francisco-Javier Gamo et al.   NATURE

The influence of lead discovery strategies on the properties of drug candidates

(2009) György M. Keserü et al.   NATURE REVIEWS DRUG DISCOVERY

Self-Organizing Maps in Drug Discovery: Compound Library Design, Scaffold-Hopping, Repurposing

(2008) P. Schneider et al.   CURRENT MEDICINAL CHEMISTRY

In silicoactivity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen

(2008) David Plouffe et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Protein kinases of malaria parasites: an update

(2008) Christian Doerig et al.   TRENDS IN PARASITOLOGY