- Home
- Publications
- Publication Search
- Publication Details
Title
Drug repositioning by structure-based virtual screening
Authors
Keywords
-
Journal
CHEMICAL SOCIETY REVIEWS
Volume 42, Issue 5, Pages 2130
Publisher
Royal Society of Chemistry (RSC)
Online
2013-01-04
DOI
10.1039/c2cs35357a
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- A Metal-Based Inhibitor of Tumor Necrosis Factor-α
- (2012) Chung-Hang Leung et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- e-Drug3D: 3D structure collections dedicated to drug repurposing and fragment-based drug design
- (2012) Emilie Pihan et al. BIOINFORMATICS
- Repurposing Approved and Abandoned Drugs for the Treatment and Prevention of Cancer through Public-Private Partnership
- (2012) S. J. Weir et al. CANCER RESEARCH
- Therapeutic development in targeting protein–protein interactions with synthetic topological mimetics
- (2012) Lun K Tsou et al. CURRENT OPINION IN PHARMACOLOGY
- Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling
- (2012) Francesca Spyrakis et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Structure-based design of flavone derivatives as c-myc oncogene down-regulators
- (2012) Hui Yang et al. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
- Life Beyond Kinases: Structure-Based Discovery of Sorafenib as Nanomolar Antagonist of 5-HT Receptors
- (2012) Xingyu Lin et al. JOURNAL OF MEDICINAL CHEMISTRY
- Shape-Based Reprofiling of FDA-Approved Drugs for the H1 Histamine Receptor
- (2012) Sridhar R. Vasudevan et al. JOURNAL OF MEDICINAL CHEMISTRY
- In silico screening of quadruplex-binding ligands
- (2012) Dik-Lung Ma et al. METHODS
- NCATS launches drug repurposing program
- (2012) Malorye Allison NATURE BIOTECHNOLOGY
- Drug repurposing programmes get lift off
- (2012) Asher Mullard NATURE REVIEWS DRUG DISCOVERY
- Discovery of a Natural Product-Like c-myc G-Quadruplex DNA Groove-Binder by Molecular Docking
- (2012) Dik-Lung Ma et al. PLoS One
- Drug Repurposing and the Medicinal Chemist
- (2012) Jeffrey Aubé ACS Medicinal Chemistry Letters
- Structure-based optimization of FDA-approved drug methylene blue as a c-myc G-quadruplex DNA stabilizer
- (2011) Daniel Shiu-Hin Chan et al. BIOCHIMIE
- New sources of drugs for hematologic malignancies
- (2011) M. A. Sukhai et al. BLOOD
- Identify drug repurposing candidates by mining the Protein Data Bank
- (2011) F. Moriaud et al. BRIEFINGS IN BIOINFORMATICS
- Literature mining, ontologies and information visualization for drug repurposing
- (2011) C. Andronis et al. BRIEFINGS IN BIOINFORMATICS
- Structure-Based Repurposing of FDA-Approved Drugs as TNF-α Inhibitors
- (2011) Chung-Hang Leung et al. ChemMedChem
- Schistosomiasis
- (2011) Conor R. Caffrey et al. CURRENT OPINION IN INFECTIOUS DISEASES
- In-Silico ADME Models: A General Assessment of their Utility in Drug Discovery Applications
- (2011) M. Paul Gleeson et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Structure-based drug design to augment hit discovery
- (2011) Subha Kalyaanamoorthy et al. DRUG DISCOVERY TODAY
- In silico repositioning of approved drugs for rare and neglected diseases
- (2011) Sean Ekins et al. DRUG DISCOVERY TODAY
- Retrospective clinical analysis for drug rescue: for new indications or stratified patient groups
- (2011) David Cavalla et al. DRUG DISCOVERY TODAY
- The value of in silico chemistry in the safety assessment of chemicals in the consumer goods and pharmaceutical industries
- (2011) Sandeep Modi et al. DRUG DISCOVERY TODAY
- Toward in silico structure-based ADMET prediction in drug discovery
- (2011) Gautier Moroy et al. DRUG DISCOVERY TODAY
- Drug repositioning in the treatment of malaria and TB
- (2011) Alexis Nzila et al. Future Medicinal Chemistry
- 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
- Fragment-Based Drug Design and Drug Repositioning Using Multiple Ligand Simultaneous Docking (MLSD): Identifying Celecoxib and Template Compounds as Novel Inhibitors of Signal Transducer and Activator of Transcription 3 (STAT3)
- (2011) Huameng Li et al. JOURNAL OF MEDICINAL CHEMISTRY
- Mining for therapeutic gold
- (2011) Francis S. Collins NATURE REVIEWS DRUG DISCOVERY
- Targeting G-quadruplexes in gene promoters: a novel anticancer strategy?
- (2011) Shankar Balasubramanian et al. NATURE REVIEWS DRUG DISCOVERY
- Structural conservation of druggable hot spots in protein-protein interfaces
- (2011) D. Kozakov et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- The Emergence of Genome-Based Drug Repositioning
- (2011) Y. A. Lussier et al. Science Translational Medicine
- Structure-Based Discovery of Natural-Product-like TNF-α Inhibitors
- (2010) Daniel Shiu-Hin Chan et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking
- (2010) Pedro J. Ballester et al. BIOINFORMATICS
- Identification of natural product Fonsecin B as a stabilizing ligand of c-myc G-quadruplex DNA by high-throughput virtual screening
- (2010) Ho-Man Lee et al. CHEMICAL COMMUNICATIONS
- Deconstructing the Drug Development Process: The New Face of Innovation
- (2010) K I Kaitin CLINICAL PHARMACOLOGY & THERAPEUTICS
- Rational approaches to targeted polypharmacology: creating and navigating protein–ligand interaction networks
- (2010) James T Metz et al. CURRENT OPINION IN CHEMICAL BIOLOGY
- How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis
- (2010) Olivier Sperandio et al. EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
- Binding Energy Landscape Analysis Helps to Discriminate True Hits from High-Scoring Decoys in Virtual Screening
- (2010) Dengguo Wei et al. Journal of Chemical Information and Modeling
- NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein−Ligand Complexes
- (2010) Jacob D. Durrant et al. Journal of Chemical Information and Modeling
- Quo Vadis, Virtual Screening? A Comprehensive Survey of Prospective Applications
- (2010) Peter Ripphausen et al. JOURNAL OF MEDICINAL CHEMISTRY
- Drug Repurposing for Drug Development in Stroke
- (2010) Susan C Fagan PHARMACOTHERAPY
- Predicting and understanding the stability of G-quadruplexes
- (2009) Oliver Stegle et al. BIOINFORMATICS
- Automatic clustering of docking poses in virtual screening process using self-organizing map
- (2009) Guillaume Bouvier et al. BIOINFORMATICS
- Identification of Inhibitors of ABCG2 by a Bioluminescence Imaging-Based High-Throughput Assay
- (2009) Y. Zhang et al. CANCER RESEARCH
- Computational evaluation of protein–small molecule binding
- (2009) Olgun Guvench et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Managing protein flexibility in docking and its applications
- (2009) Chandrika B-Rao et al. DRUG DISCOVERY TODAY
- The value of drug repositioning in the current pharmaceutical market
- (2009) E.L. Tobinick DRUG NEWS & PERSPECTIVES
- Docking Ligands into Flexible and Solvated Macromolecules. 3. Impact of Input Ligand Conformation, Protein Flexibility, and Water Molecules on the Accuracy of Docking Programs
- (2009) Christopher R. Corbeil et al. Journal of Chemical Information and Modeling
- Recipes for the Selection of Experimental Protein Conformations for Virtual Screening
- (2009) Manuel Rueda et al. Journal of Chemical Information and Modeling
- Identification of Death-Associated Protein Kinases Inhibitors Using Structure-Based Virtual Screening
- (2009) Masako Okamoto et al. JOURNAL OF MEDICINAL CHEMISTRY
- Predicting promiscuity
- (2009) Andrew L. Hopkins NATURE
- The structure and function of G-protein-coupled receptors
- (2009) Daniel M. Rosenbaum et al. NATURE
- Predicting new molecular targets for known drugs
- (2009) Michael J. Keiser et al. NATURE
- KEGG for representation and analysis of molecular networks involving diseases and drugs
- (2009) Minoru Kanehisa et al. NUCLEIC ACIDS RESEARCH
- 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
- Serotonin Receptors
- (2008) David E. Nichols et al. CHEMICAL REVIEWS
- Flexible ligand docking to multiple receptor conformations: a practical alternative
- (2008) Maxim Totrov et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- AIScore Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen-Bonded Complexes
- (2008) Stephan Raub et al. Journal of Chemical Information and Modeling
- MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization
- (2008) Cristiano R. W. Guimarães et al. Journal of Chemical Information and Modeling
- Consensus Scoring with Feature Selection for Structure-Based Virtual Screening
- (2008) Reiji Teramoto et al. Journal of Chemical Information and Modeling
- A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)
- (2008) Giovanni Bottegoni et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Flexible Side Chain Models Improve Enrichment Rates in In Silico Screening
- (2008) Daria B. Kokh et al. JOURNAL OF MEDICINAL CHEMISTRY
- Four-Dimensional Docking: A Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking
- (2008) Giovanni Bottegoni et al. JOURNAL OF MEDICINAL CHEMISTRY
- Network pharmacology: the next paradigm in drug discovery
- (2008) Andrew L Hopkins Nature Chemical Biology
- Structural diversity of G protein-coupled receptors and significance for drug discovery
- (2008) Malin C. Lagerström et al. NATURE REVIEWS DRUG DISCOVERY
- Digoxin and other cardiac glycosides inhibit HIF-1 synthesis and block tumor growth
- (2008) H. Zhang et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Targeting telomeres and telomerase
- (2007) Anne De Cian et al. BIOCHIMIE
- TNF-mediated inflammatory disease
- (2007) JR Bradley JOURNAL OF PATHOLOGY
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More