Be Aware of Aggregators in the Search for Potential Human ecto-5′-Nucleotidase Inhibitors

A multifaceted approach to identify non-specific enzyme inhibition: Application to Mycobacterium tuberculosis shikimate kinase

(2018) Mansour S. Alturki et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Comprehensive evaluation of NT5E/CD73 expression and its prognostic significance in distinct types of cancers

(2018) Tao Jiang et al.   BMC CANCER

A printable hydrogel microarray for drug screening avoids false positives associated with promiscuous aggregating inhibitors

(2018) Rabia Mateen et al.   Nature Communications

Identification of allosteric inhibitors of the ecto-5'-nucleotidase (CD73) targeting the dimer interface

(2018) Rahila Rahimova et al.   PLoS Computational Biology

The Ecstasy and Agony of Assay Interference Compounds

(2017) Courtney Aldrich et al.   JOURNAL OF MEDICINAL CHEMISTRY

CD73 is expressed by inflammatory Th17 cells in experimental autoimmune encephalomyelitis but does not limit differentiation or pathogenesis

(2017) Gerard Hernandez-Mir et al.   PLoS One

Isonicotinohydrazones as inhibitors of alkaline phosphatase and ecto-5′-nucleotidase

(2016) Pervaiz Ali Channar et al.   Chemical Biology & Drug Design

2-Alkoxy-3-(sulfonylarylaminomethylene)-chroman-4-ones as potent and selective inhibitors of ectonucleotidases

(2016) Mariya al-Rashida et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Badapple: promiscuity patterns from noisy evidence

(2016) Jeremy J. Yang et al.   Journal of Cheminformatics

3-(5-(Benzylideneamino)thiazol-3-yl)-2H-chromen-2-ones: a new class of alkaline phosphatase and ecto-5′-nucleotidase inhibitors

(2016) Aamer Saeed et al.   RSC Advances

Colloidal Aggregation and the in Vitro Activity of Traditional Chinese Medicines

(2015) Da Duan et al.   ACS Chemical Biology

α,β-Methylene-ADP (AOPCP) Derivatives and Analogues: Development of Potent and Selective ecto-5′-Nucleotidase (CD73) Inhibitors

(2015) Sanjay Bhattarai et al.   JOURNAL OF MEDICINAL CHEMISTRY

An Aggregation Advisor for Ligand Discovery

(2015) John J. Irwin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Ecto-5’-Nucleotidase Overexpression Reduces Tumor Growth in a Xenograph Medulloblastoma Model

(2015) Angélica R. Cappellari et al.   PLoS One

Chemistry: Chemical con artists foil drug discovery

(2014) Jonathan Baell et al.   NATURE

A new, sensitive ecto-5′-nucleotidase assay for compound screening

(2013) Marianne Freundlieb et al.   ANALYTICAL BIOCHEMISTRY

Identification of sulfonic acids as efficient ecto-5′-nucleotidase inhibitors

(2013) Jamshed Iqbal et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Colloidal Aggregation Causes Inhibition of G Protein-Coupled Receptors

(2013) Maria F. Sassano et al.   JOURNAL OF MEDICINAL CHEMISTRY

CD73 promotes anthracycline resistance and poor prognosis in triple negative breast cancer

(2013) S. Loi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

CD39 and CD73 in immunity and inflammation

(2013) Luca Antonioli et al.   TRENDS IN MOLECULAR MEDICINE

Regulation of Foam Cells by Adenosine

(2012) Allison B. Reiss et al.   ARTERIOSCLEROSIS THROMBOSIS AND VASCULAR BIOLOGY

CD73-Deficient Mice Are Resistant to Carcinogenesis

(2012) J. Stagg et al.   CANCER RESEARCH

Recognizing Pitfalls in Virtual Screening: A Critical Review

(2012) Thomas Scior et al.   Journal of Chemical Information and Modeling

Virtual Screening Identifies Novel Sulfonamide Inhibitors of ecto-5′-Nucleotidase

(2012) Peter Ripphausen et al.   JOURNAL OF MEDICINAL CHEMISTRY

Aggregating Behavior of Phenolic Compounds — A Source of False Bioassay Results?

(2012) Leena Pohjala et al.   MOLECULES

Ecto-5′-Nucleotidase: A Candidate Virulence Factor in Streptococcus sanguinis Experimental Endocarditis

(2012) Jingyuan Fan et al.   PLoS One

Correction: Characterization of Ectonucleotidases in Human Medulloblastoma Cell Lines: ecto-5′NT/CD73 in Metastasis as Potential Prognostic Factor

(2012) Angélica Regina Cappellari et al.   PLoS One

Cellular function and molecular structure of ecto-nucleotidases

(2012) Herbert Zimmermann et al.   Purinergic Signalling

Selective Activation of Adenosine A2A Receptors on Immune Cells by a CD73-Dependent Prodrug Suppresses Joint Inflammation in Experimental Rheumatoid Arthritis

(2012) U. Flogel et al.   Science Translational Medicine

Crystal Structure of the Human Ecto-5′-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling

(2012) Karen Knapp et al.   STRUCTURE

Biochemical properties of Candida parapsilosis ecto-5′-nucleotidase and the possible role of adenosine in macrophage interaction

(2011) Thais Russo-Abrahão et al.   FEMS MICROBIOLOGY LETTERS

MPO Inhibitors Selected by Virtual Screening

(2011) Alberto Malvezzi  et al.   Molecular Informatics

Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database

(2010) Paul C. D. Hawkins et al.   Journal of Chemical Information and Modeling

Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors

(2010) Rafaela S. Ferreira et al.   JOURNAL OF MEDICINAL CHEMISTRY

Development of Potent and Selective Inhibitors ofecto-5′-Nucleotidase Based on an Anthraquinone Scaffold

(2010) Younis Baqi et al.   JOURNAL OF MEDICINAL CHEMISTRY

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

(2010) Jonathan B. Baell et al.   JOURNAL OF MEDICINAL CHEMISTRY

Anti-CD73 antibody therapy inhibits breast tumor growth and metastasis

(2010) J. Stagg et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS

(2009) Oliver Korb et al.   Journal of Chemical Information and Modeling

Role of extracellular nucleotide phosphohydrolysis in intestinal ischemia-reperfusion injury

(2008) Melanie L. Hart et al.   FASEB JOURNAL

Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase

(2008) Kerim Babaoglu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Stoichiometry and Physical Chemistry of Promiscuous Aggregate-Based Inhibitors

(2008) Kristin E. D. Coan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Capillary electrophoresis-based nanoscale assays for monitoring ecto-5′-nucleotidase activity and inhibition in preparations of recombinant enzyme and melanoma cell membranes

(2007) Jamshed Iqbal et al.   ANALYTICAL BIOCHEMISTRY

Uncovering false positives on a virtual screening search for cruzain inhibitors

(2007) Alberto Malvezzi et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS