High Throughput and Computational Repurposing for Neglected Diseases

The A–Z of Zika drug discovery

(2018) Melina Mottin et al.   DRUG DISCOVERY TODAY

A bibliometric review of drug repurposing

(2018) Nancy C. Baker et al.   DRUG DISCOVERY TODAY

Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery

(2018) Thomas Lane et al.   MOLECULAR PHARMACEUTICS

Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction

(2018) Daniel P. Russo et al.   MOLECULAR PHARMACEUTICS

Phenotypic, chemical and functional characterization of cyclic nucleotide phosphodiesterase 4 (PDE4) as a potential anthelmintic drug target

(2017) Thavy Long et al.   PLoS Neglected Tropical Diseases

Ten failings in global neglected tropical diseases control

(2017) Peter J. Hotez   PLoS Neglected Tropical Diseases

A novel in vitro image-based assay identifies new drug leads for giardiasis

(2017) Christopher J.S. Hart et al.   International Journal for Parasitology-Drugs and Drug Resistance

Priorities for the Priority Review Voucher

(2016) David B. Ridley   AMERICAN JOURNAL OF TROPICAL MEDICINE AND HYGIENE

The Tropical Disease Priority Review Voucher: A Game-Changer for Tropical Disease Products

(2016) Jonathan Berman et al.   AMERICAN JOURNAL OF TROPICAL MEDICINE AND HYGIENE

Drug repurposing to target Ebola virus replication and virulence using structural systems pharmacology

(2016) Zheng Zhao et al.   BMC BIOINFORMATICS

The Repurposing of Old Drugs or Unsuccessful Lead Compounds by in Silico Approaches: New Advances and Perspectives

(2016) Annamaria Martorana et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Female genital schistosomiasis (FGS): from case reports to a call for concerted action against this neglected gynaecological disease

(2016) Vanessa Christinet et al.   INTERNATIONAL JOURNAL FOR PARASITOLOGY

Integrated Computational Approach for Virtual Hit Identification against Ebola Viral Proteins VP35 and VP40

(2016) Muhammad Mirza et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Zika virus and Guillain-Barré syndrome: another viral cause to add to the list

(2016) David W Smith et al.   LANCET

Combating Ebola with Repurposed Therapeutics Using the CANDO Platform

(2016) Gaurav Chopra et al.   MOLECULES

Identification of small-molecule inhibitors of Zika virus infection and induced neural cell death via a drug repurposing screen

(2016) Miao Xu et al.   NATURE MEDICINE

A human genome-wide loss-of-function screen identifies effective chikungunya antiviral drugs

(2016) Alexander Karlas et al.   Nature Communications

The Viral Polymerase Inhibitor 7-Deaza-2’-C-Methyladenosine Is a Potent Inhibitor of In Vitro Zika Virus Replication and Delays Disease Progression in a Robust Mouse Infection Model

(2016) Joanna Zmurko et al.   PLoS Neglected Tropical Diseases

Identification of Ecdysone Hormone Receptor Agonists as a Therapeutic Approach for Treating Filarial Infections

(2016) Amruta S. Mhashilkar et al.   PLoS Neglected Tropical Diseases

Yeast-Based High-Throughput Screens to Identify Novel Compounds Active against Brugia malayi

(2016) Elizabeth Bilsland et al.   PLoS Neglected Tropical Diseases

Screening of the Open Source Malaria Box Reveals an Early Lead Compound for the Treatment of Alveolar Echinococcosis

(2016) Britta Stadelmann et al.   PLoS Neglected Tropical Diseases

Using C. elegans Forward and Reverse Genetics to Identify New Compounds with Anthelmintic Activity

(2016) Mark D. Mathew et al.   PLoS Neglected Tropical Diseases

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

OpenZika: An IBM World Community Grid Project to Accelerate Zika Virus Drug Discovery

(2016) Sean Ekins et al.   PLoS Neglected Tropical Diseases

Identification of Trypanocidal Activity for Known Clinical Compounds Using a New Trypanosoma cruzi Hit-Discovery Screening Cascade

(2016) Manu De Rycker et al.   PLoS Neglected Tropical Diseases

Zika Virus: Medical Countermeasure Development Challenges

(2016) Robert W. Malone et al.   PLoS Neglected Tropical Diseases

A Rapid Screening Assay Identifies Monotherapy with Interferon-ß and Combination Therapies with Nucleoside Analogs as Effective Inhibitors of Ebola Virus

(2016) Stephen D. S. McCarthy et al.   PLoS Neglected Tropical Diseases

Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond

(2016) Wesley C. Van Voorhis et al.   PLoS Pathogens

Synthesis of a Sugar-Based Thiosemicarbazone Series and Structure-Activity Relationship versus the Parasite Cysteine Proteases Rhodesain, Cruzain, and Schistosoma mansoni Cathepsin B1

(2015) Nayara Cristina Fonseca et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Schistosomiasis and its treatment

(2015) Conor R Caffrey   Future Medicinal Chemistry

Inhibition of Ebola and Marburg Virus Entry by G Protein-Coupled Receptor Antagonists

(2015) Han Cheng et al.   JOURNAL OF VIROLOGY

Fluorescence/luminescence-based markers for the assessment of Schistosoma mansoni schistosomula drug assays

(2015) Gordana Panic et al.   Parasites & Vectors

A screen of approved drugs and molecular probes identifies therapeutics with anti–Ebola virus activity

(2015) Lisa M. Johansen et al.   Science Translational Medicine

Caenorhabditis elegans is a useful model for anthelmintic discovery

(2015) Andrew R. Burns et al.   Nature Communications

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

(2015) Imanol Peña et al.   Scientific Reports

Development of a Fluorescence-based Trypanosoma cruzi CYP51 Inhibition Assay for Effective Compound Triaging in Drug Discovery Programmes for Chagas Disease

(2015) Jennifer Riley et al.   PLoS Neglected Tropical Diseases

Automated High-Content Assay for Compounds Selectively Toxic to Trypanosoma cruzi in a Myoblastic Cell Line

(2015) Julio Alonso-Padilla et al.   PLoS Neglected Tropical Diseases

Repurposing Auranofin as a Lead Candidate for Treatment of Lymphatic Filariasis and Onchocerciasis

(2015) Christina A. Bulman et al.   PLoS Neglected Tropical Diseases

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

Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery

(2015) Sean Ekins et al.   PLoS Neglected Tropical Diseases

A Literature Review of Economic Evaluations for a Neglected Tropical Disease: Human African Trypanosomiasis (“Sleeping Sickness”)

(2015) C. Simone Sutherland et al.   PLoS Neglected Tropical Diseases

Targeting Ergosterol Biosynthesis in Leishmania donovani: Essentiality of Sterol 14alpha-demethylase

(2015) Laura-Isobel McCall et al.   PLoS Neglected Tropical Diseases

Infrared Fluorescent Imaging as a Potent Tool for In Vitro, Ex Vivo and In Vivo Models of Visceral Leishmaniasis

(2015) Estefanía Calvo-Álvarez et al.   PLoS Neglected Tropical Diseases

Development and Validation of a Novel Leishmania donovani Screening Cascade for High-Throughput Screening Using a Novel Axenic Assay with High Predictivity of Leishmanicidal Intracellular Activity

(2015) Andrea Nühs et al.   PLoS Neglected Tropical Diseases

Heat shock protein 90 inhibitors repurposed against Entamoeba histolytica

(2015) Dea Shahinas et al.   Frontiers in Microbiology

High-throughput screening against thioredoxin glutathione reductase identifies novel inhibitors with potential therapeutic value for schistosomiasis

(2015) Ting Li et al.   Infectious Diseases of Poverty

Computer-Aided Drug Discovery Approaches against the Tropical Infectious Diseases Malaria, Tuberculosis, Trypanosomiasis, and Leishmaniasis

(2015) Peter M. Njogu et al.   ACS Infectious Diseases

High-Throughput Minigenome System for Identifying Small-Molecule Inhibitors of Ebola Virus Replication

(2015) Megan R. Edwards et al.   ACS Infectious Diseases

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

(2015) Marcel Kaiser et al.   PLoS One

Rationale for the Coadministration of Albendazole and Ivermectin to Humans for Malaria Parasite Transmission Control

(2014) Kevin C. Kobylinski et al.   AMERICAN JOURNAL OF TROPICAL MEDICINE AND HYGIENE

Antiviral activity of lanatoside C against dengue virus infection

(2014) Yan Yi Cheung et al.   ANTIVIRAL RESEARCH

Suramin inhibits helicase activity of NS3 protein of dengue virus in a fluorescence-based high throughput assay format

(2014) Chandrakala Basavannacharya et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Zika virus infection complicated by Guillain-Barré syndrome – case report, French Polynesia, December 2013

(2014) E Oehler et al.   Eurosurveillance

Activity of anti-cancer protein kinase inhibitors against Leishmania spp.

(2014) L. Sanderson et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

Human schistosomiasis

(2014) Daniel G Colley et al.   LANCET

Clinical development success rates for investigational drugs

(2014) Michael Hay et al.   NATURE BIOTECHNOLOGY

Chemical and Genetic Validation of the Statin Drug Target to Treat the Helminth Disease, Schistosomiasis

(2014) Liliana Rojo-Arreola et al.   PLoS One

Determinants of disease phenotype in trypanosomatid parasites

(2014) Laura-Isobel McCall et al.   TRENDS IN PARASITOLOGY

Using a Non-Image-Based Medium-Throughput Assay for Screening Compounds Targeting N-myristoylation in Intracellular Leishmania Amastigotes

(2014) Daniel Paape et al.   PLoS Neglected Tropical Diseases

Molecular Evolution of Zika Virus during Its Emergence in the 20th Century

(2014) Oumar Faye et al.   PLoS Neglected Tropical Diseases

Cofactor-Independent Phosphoglycerate Mutase from Nematodes Has Limited Druggability, as Revealed by Two High-Throughput Screens

(2014) Gregory J. Crowther et al.   PLoS Neglected Tropical Diseases

Synergy Testing of FDA-Approved Drugs Identifies Potent Drug Combinations against Trypanosoma cruzi

(2014) Joseph D. Planer et al.   PLoS Neglected Tropical Diseases

Identification and Characterization of Hundreds of Potent and Selective Inhibitors of Trypanosoma brucei Growth from a Kinase-Targeted Library Screening Campaign

(2014) Rosario Diaz et al.   PLoS Neglected Tropical Diseases

Orally Active Antischistosomal Early Leads Identified from the Open Access Malaria Box

(2014) Katrin Ingram-Sieber et al.   PLoS Neglected Tropical Diseases

High Content Image-Based Screening of a Protease Inhibitor Library Reveals Compounds Broadly Active against Rift Valley Fever Virus and Other Highly Pathogenic RNA Viruses

(2014) Rajini Mudhasani et al.   PLoS Neglected Tropical Diseases

Identification of 53 compounds that block Ebola virus-like particle entry via a repurposing screen of approved drugs

(2014) Jennifer Kouznetsova et al.   Emerging Microbes & Infections

Computational Models for Neglected Diseases: Gaps and Opportunities

(2013) Elizabeth L. Ponder et al.   PHARMACEUTICAL RESEARCH

3-Oxoacyl-ACP Reductase from Schistosoma japonicum: Integrated In Silico-In Vitro Strategy for Discovering Antischistosomal Lead Compounds

(2013) Jian Liu et al.   PLoS One

A Systematic Screen of FDA-Approved Drugs for Inhibitors of Biological Threat Agents

(2013) Peter B. Madrid et al.   PLoS One

FDA-Approved Selective Estrogen Receptor Modulators Inhibit Ebola Virus Infection

(2013) L. M. Johansen et al.   Science Translational Medicine

Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay

(2013) Helton J. Wiggers et al.   PLoS Neglected Tropical Diseases

Identification of Novel Compounds Inhibiting Chikungunya Virus-Induced Cell Death by High Throughput Screening of a Kinase Inhibitor Library

(2013) Deu John M. Cruz et al.   PLoS Neglected Tropical Diseases

High Content Screening of a Kinase-Focused Library Reveals Compounds Broadly-Active against Dengue Viruses

(2013) Deu John M. Cruz et al.   PLoS Neglected Tropical Diseases

Drug Repurposing: Far Beyond New Targets for Old Drugs

(2012) T. I. Oprea et al.   AAPS Journal

Quantification and clustering of phenotypic screening data using time-series analysis for chemotherapy of schistosomiasis

(2012) Hyokyeong Lee et al.   BMC GENOMICS

Global Phenotypic Screening for Antimalarials

(2012) W. Armand Guiguemde et al.   CHEMISTRY & BIOLOGY

Schistosomiasis in infants and pre-school-aged children in sub-Saharan Africa: implication for control

(2012) UWEM F. EKPO et al.   PARASITOLOGY

Hit-to-Lead Development of the Chamigrane Endoperoxide Merulin A for the Treatment of African Sleeping Sickness

(2012) Gabriel Navarro et al.   PLoS One

Early Invasion of Brain Parenchyma by African Trypanosomes

(2012) Ute Frevert et al.   PLoS One

A Global Comparison of the Human and T. brucei Degradomes Gives Insights about Possible Parasite Drug Targets

(2012) Susan T. Mashiyama et al.   PLoS Neglected Tropical Diseases

Fexinidazole: A Potential New Drug Candidate for Chagas Disease

(2012) Maria Terezinha Bahia et al.   PLoS Neglected Tropical Diseases

Diverse Inhibitor Chemotypes Targeting Trypanosoma cruzi CYP51

(2012) Shamila S. Gunatilleke et al.   PLoS Neglected Tropical Diseases

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

Chagas Disease: “The New HIV/AIDS of the Americas”

(2012) Peter J. Hotez et al.   PLoS Neglected Tropical Diseases

Exploiting drug-disease relationships for computational drug repositioning

(2011) J. T. Dudley et al.   BRIEFINGS IN BIOINFORMATICS

High-Throughput Analysis of an RNAi Library Identifies Novel Kinase Targets in Trypanosoma brucei

(2011) Zachary B. Mackey et al.   Chemical Biology & Drug Design

Schistosomiasis

(2011) Conor R. Caffrey et al.   CURRENT OPINION IN INFECTIOUS DISEASES

A Machine Learning-Based Method To Improve Docking Scoring Functions and Its Application to Drug Repurposing

(2011) Sarah L. Kinnings et al.   Journal of Chemical Information and Modeling

How were new medicines discovered?

(2011) David C. Swinney et al.   NATURE REVIEWS DRUG DISCOVERY

Leishmania major protein disulfide isomerase as a drug target

(2011) Noureddine Ben Khalaf et al.   PARASITOLOGY RESEARCH

The NCGC Pharmaceutical Collection: A Comprehensive Resource of Clinically Approved Drugs Enabling Repurposing and Chemical Genomics

(2011) R. Huang et al.   Science Translational Medicine

Preventive chemotherapy in human helminthiasis: theoretical and operational aspects

(2011) A.-F. Gabrielli et al.   TRANSACTIONS OF THE ROYAL SOCIETY OF TROPICAL MEDICINE AND HYGIENE

The Susceptibility of Trypanosomatid Pathogens to PI3/mTOR Kinase Inhibitors Affords a New Opportunity for Drug Repurposing

(2011) Rosario Diaz-Gonzalez et al.   PLoS Neglected Tropical Diseases

A Screen against Leishmania Intracellular Amastigotes: Comparison to a Promastigote Screen and Identification of a Host Cell-Specific Hit

(2011) Geraldine De Muylder et al.   PLoS Neglected Tropical Diseases

Chagas disease

(2010) Anis Rassi et al.   LANCET

Chagas disease: a new worldwide challenge

(2010) José Rodrigues Coura et al.   NATURE

“Manifesto” for Advancing the Control and Elimination of Neglected Tropical Diseases

(2010) Peter J. Hotez et al.   PLoS Neglected Tropical Diseases

Delineation of Diverse Macrophage Activation Programs in Response to Intracellular Parasites and Cytokines

(2010) Shuyi Zhang et al.   PLoS Neglected Tropical Diseases

Structural Characterization of CYP51 from Trypanosoma cruzi and Trypanosoma brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole

(2010) Chiung-Kuang Chen et al.   PLoS Neglected Tropical Diseases

Pharmacotherapy of helminth infection

(2009) Erwin van den Enden   EXPERT OPINION ON PHARMACOTHERAPY

Repurposing for Neglected Diseases

(2009) S. R. B. Uliana et al.   SCIENCE

Repurposing with a Difference

(2009) M. S. Boguski et al.   SCIENCE

Identification of Three Classes of Heteroaromatic Compounds with Activity against Intracellular Trypanosoma cruzi by Chemical Library Screening

(2009) Esther Bettiol et al.   PLoS Neglected Tropical Diseases

Drug Discovery for Schistosomiasis: Hit and Lead Compounds Identified in a Library of Known Drugs by Medium-Throughput Phenotypic Screening

(2009) Maha-Hamadien Abdulla et al.   PLoS Neglected Tropical Diseases

New, Improved Treatments for Chagas Disease: From the R&D Pipeline to the Patients

(2009) Isabela Ribeiro et al.   PLoS Neglected Tropical Diseases

Advancing Drug Innovation for Neglected Diseases—Criteria for Lead Progression

(2009) Solomon Nwaka et al.   PLoS Neglected Tropical Diseases

Development of protease inhibitors for protozoan infections

(2008) James H McKerrow et al.   CURRENT OPINION IN INFECTIOUS DISEASES