Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents

Kinases: Molecular Stage Directors for Schistosome Development and Differentiation

(2018) Christoph G. Grevelding et al.   TRENDS IN PARASITOLOGY

Large-scale detection of drug off-targets: hypotheses for drug repurposing and understanding side-effects

(2017) Matthieu Chartier et al.   BMC Pharmacology & Toxicology

QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni

(2016) Cleber C. Melo-Filho et al.   Journal of Chemical Information and Modeling

Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening

(2016) Bruno J. Neves et al.   JOURNAL OF MEDICINAL CHEMISTRY

The STRING database in 2017: quality-controlled protein–protein association networks, made broadly accessible

(2016) Damian Szklarczyk et al.   NUCLEIC ACIDS RESEARCH

KEGG: new perspectives on genomes, pathways, diseases and drugs

(2016) Minoru Kanehisa et al.   NUCLEIC ACIDS RESEARCH

Evaluation of an FDA approved library against laboratory models of human intestinal nematode infections

(2016) Jennifer Keiser et al.   Parasites & Vectors

The antidepressant drug paroxetine as a new lead candidate in schistosome drug discovery

(2016) Bruno Junior Neves et al.   MedChemComm

High Throughput Screening Identifies Novel Lead Compounds with Activity against Larval, Juvenile and Adult Schistosoma mansoni

(2016) Nuha R. Mansour et al.   PLoS Neglected Tropical Diseases

Computational and Practical Aspects of Drug Repositioning

(2015) Tudor I. Oprea et al.   ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES

Targeting kinases in Plasmodium and Schistosoma : Same goals, different challenges

(2015) Christian Doerig et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

CytoNCA: A cytoscape plugin for centrality analysis and evaluation of protein interaction networks

(2015) Yu Tang et al.   BIOSYSTEMS

Repurposing apoptosis-inducing cancer drugs to treat schistosomiasis

(2015) Erinna F Lee et al.   Future Medicinal Chemistry

Repurposing pharma assets: an accelerated mechanism for strengthening the schistosomiasis drug development pipeline

(2015) Roopa Ramamoorthi et al.   Future Medicinal Chemistry

Re-positioning protein-kinase inhibitors against schistosomiasis

(2015) Verena Gelmedin et al.   Future Medicinal Chemistry

PDBe: improved accessibility of macromolecular structure data from PDB and EMDB

(2015) Sameer Velankar et al.   NUCLEIC ACIDS RESEARCH

FunTree: advances in a resource for exploring and contextualising protein function evolution

(2015) Ian Sillitoe et al.   NUCLEIC ACIDS RESEARCH

OrthoVenn: a web server for genome wide comparison and annotation of orthologous clusters across multiple species

(2015) Yi Wang et al.   NUCLEIC ACIDS RESEARCH

The Pfam protein families database: towards a more sustainable future

(2015) Robert D. Finn et al.   NUCLEIC ACIDS RESEARCH

Repurposing of anticancer drugs: in vitro and in vivo activities against Schistosoma mansoni

(2015) Noemi Cowan et al.   Parasites & Vectors

Defining the Schistosoma haematobium kinome enables the prediction of essential kinases as anti-schistosome drug targets

(2015) Andreas J. Stroehlein et al.   Scientific Reports

In Silico Repositioning-Chemogenomics Strategy Identifies New Drugs with Potential Activity against Multiple Life Stages of Schistosoma mansoni

(2015) Bruno J. Neves et al.   PLoS Neglected Tropical Diseases

Activity Profile of an FDA-Approved Compound Library against Schistosoma mansoni

(2015) Gordana Panic et al.   PLoS Neglected Tropical Diseases

InterProScan 5: genome-scale protein function classification

(2014) P. Jones et al.   BIOINFORMATICS

Kinases as Druggable Targets in Trypanosomatid Protozoan Parasites

(2014) Christopher Merritt et al.   CHEMICAL REVIEWS

Trends in schistosomiasis-related mortality in Brazil, 2000–2011

(2014) Francisco Rogerlândio Martins-Melo et al.   INTERNATIONAL JOURNAL FOR PARASITOLOGY

Human schistosomiasis

(2014) Daniel G Colley et al.   LANCET

Regulation of Schistosoma mansoni Development and Reproduction by the Mitogen-Activated Protein Kinase Signaling Pathway

(2014) Luiza Freire de Andrade et al.   PLoS Neglected Tropical Diseases

Protein Kinase C and Extracellular Signal-Regulated Kinase Regulate Movement, Attachment, Pairing and Egg Release in Schistosoma mansoni

(2014) Margarida Ressurreição et al.   PLoS Neglected Tropical Diseases

Nima- and Aurora-related kinases of malaria parasites

(2013) Teresa Gil Carvalho et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Kinannote, a computer program to identify and classify members of the eukaryotic protein kinase superfamily

(2013) Jonathan M. Goldberg et al.   BIOINFORMATICS

Screening of Drug Target Proteins by 2D Ligand Matching Approach

(2013) Jianyu Feng et al.   Chemical Biology & Drug Design

Imatinib activity on Schistosoma mansoni

(2013) Naftale Katz et al.   MEMORIAS DO INSTITUTO OSWALDO CRUZ

The ChEMBL bioactivity database: an update

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

PDBsum additions

(2013) Tjaart A. P. de Beer et al.   NUCLEIC ACIDS RESEARCH

Functional Mapping of Protein Kinase A Reveals Its Importance in Adult Schistosoma mansoni Motor Activity

(2013) Paulu S. R. de Saram et al.   PLoS Neglected Tropical Diseases

Susceptibility or resistance of praziquantel in human schistosomiasis: a review

(2012) Wei Wang et al.   PARASITOLOGY RESEARCH

SmSak, the Second Polo-Like Kinase of the Helminth Parasite Schistosoma mansoni: Conserved and Unexpected Roles in Meiosis

(2012) Thavy Long et al.   PLoS One

Whole Organism High-Content Screening by Label-Free, Image-Based Bayesian Classification for Parasitic Diseases

(2012) Ross A. Paveley et al.   PLoS Neglected Tropical Diseases

Schistosoma mansoni polo-like kinases and their function in control of mitosis and parasite reproduction

(2011) Colette Dissous et al.   ANAIS DA ACADEMIA BRASILEIRA DE CIENCIAS

Eukaryotic Protein Kinases (ePKs) of the Helminth Parasite Schistosoma mansoni

(2011) Luiza F Andrade et al.   BMC GENOMICS

A role for p38 mitogen-activated protein kinase in early post-embryonic development of Schistosoma mansoni

(2011) Margarida Ressurreição et al.   MOLECULAR AND BIOCHEMICAL PARASITOLOGY

Drug Discovery Using Chemical Systems Biology: Weak Inhibition of Multiple Kinases May Contribute to the Anti-Cancer Effect of Nelfinavir

(2011) Li Xie et al.   PLoS Computational Biology

ArchSchema: a tool for interactive graphing of related Pfam domain architectures

(2010) A. U. Tamuri et al.   BIOINFORMATICS

Imatinib has a fatal impact on morphology, pairing stability and survival of adult Schistosoma mansoni in vitro

(2010) S. Beckmann et al.   INTERNATIONAL JOURNAL FOR PARASITOLOGY

New Algorithms and Methods to Estimate Maximum-Likelihood Phylogenies: Assessing the Performance of PhyML 3.0

(2010) Stéphane Guindon et al.   SYSTEMATIC BIOLOGY

Piggy-backing the concept of cancer drugs for schistosomiasis treatment: a tangible perspective?

(2010) Colette Dissous et al.   TRENDS IN PARASITOLOGY

Analyzing biological network parameters with CentiScaPe

(2009) Giovanni Scardoni et al.   BIOINFORMATICS

How to identify essential genes from molecular networks?

(2009) Gabriel del Rio et al.   BMC Systems Biology

The Schistosoma japonicum genome reveals features of host–parasite interplay

(2009)   NATURE

The genome of the blood fluke Schistosoma mansoni

(2009) Matthew Berriman et al.   NATURE

Small Molecule Subgraph Detector (SMSD) toolkit

(2009) Syed Rahman et al.   Journal of Cheminformatics

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

Drug Discovery Using Chemical Systems Biology: Identification of the Protein-Ligand Binding Network To Explain the Side Effects of CETP Inhibitors

(2009) Li Xie et al.   PLoS Computational Biology