Balancing novelty with confined chemical space in modern drug discovery
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Title
Balancing novelty with confined chemical space in modern drug discovery
Authors
Keywords
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Journal
Expert Opinion on Drug Discovery
Volume 9, Issue 2, Pages 151-165
Publisher
Informa Healthcare
Online
2013-12-19
DOI
10.1517/17460441.2014.872624
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Note: Only part of the references are listed.- Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters
- (2013) Michael D. Shultz BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
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- (2013) Iskander Yusof et al. DRUG DISCOVERY TODAY
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- (2013) Allan A. Kaspar et al. DRUG DISCOVERY TODAY
- Ligand/kappa-opioid receptor interactions: Insights from the X-ray crystal structure
- (2013) Karina Martinez-Mayorga et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
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- Rapid Scanning Structure–Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches
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- Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds
- (2013) Aaron M. Virshup et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A critical assessment of modeling safety-related drug attrition
- (2013) Daniel Muthas et al. MedChemComm
- Comprehensive Peptidomimetic Libraries Targeting Protein–Protein Interactions
- (2012) Landon R. Whitby et al. ACCOUNTS OF CHEMICAL RESEARCH
- Molecular Scaffold Analysis of Natural Products Databases in the Public Domain
- (2012) Austin B. Yongye et al. Chemical Biology & Drug Design
- Inhibitors of DNA Methyltransferases: Insights from Computational Studies
- (2012) J. Yoo et al. CURRENT MEDICINAL CHEMISTRY
- The potential of organometallic complexes in medicinal chemistry
- (2012) Gilles Gasser et al. CURRENT OPINION IN CHEMICAL BIOLOGY
- Computational Drug Design Targeting Protein-Protein Interactions
- (2012) Rachelle J. Bienstock CURRENT PHARMACEUTICAL DESIGN
- Multi-Parameter Optimization: Identifying High Quality Compounds with a Balance of Properties
- (2012) Matthew D. Segall CURRENT PHARMACEUTICAL DESIGN
- Immunoproteasome in Cancer and Neuropathologies: A New Therapeutic Target?
- (2012) Elena Bellavista et al. CURRENT PHARMACEUTICAL DESIGN
- Modulation of Epigenetic Targets for Anticancer Therapy: Clinicopathological Relevance, Structural Data and Drug Discovery Perspectives
- (2012) Federico Andreoli et al. CURRENT PHARMACEUTICAL DESIGN
- Freely Accessible Databases of Commercial Compounds For High- Throughput Virtual Screenings
- (2012) Armenio Jorge Moura Barbosa et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- A cell-based fascin bioassay identifies compounds with potential anti-metastasis or cognition-enhancing functions
- (2012) R. Kraft et al. Disease Models & Mechanisms
- Expanding the medicinally relevant chemical space with compound libraries
- (2012) Fabian López-Vallejo et al. DRUG DISCOVERY TODAY
- Expanding medicinal chemistry space
- (2012) Andy Barker et al. DRUG DISCOVERY TODAY
- Therapeutic potential of conopeptides
- (2012) Christina I Schroeder et al. Future Medicinal Chemistry
- Macrocycles in new drug discovery
- (2012) Jamie Mallinson et al. Future Medicinal Chemistry
- Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds
- (2012) Austin B. Yongye et al. Journal of Chemical Information and Modeling
- Recognizing Pitfalls in Virtual Screening: A Critical Review
- (2012) Thomas Scior et al. Journal of Chemical Information and Modeling
- Visualization and Virtual Screening of the Chemical Universe Database GDB-17
- (2012) Lars Ruddigkeit et al. Journal of Chemical Information and Modeling
- Virtual Screening and Optimization Yield Low-Nanomolar Inhibitors of the Tautomerase Activity of Plasmodium falciparum Macrophage Migration Inhibitory Factor
- (2012) Markus K. Dahlgren et al. JOURNAL OF MEDICINAL CHEMISTRY
- A new era of GPCR structural and chemical biology
- (2012) Sébastien Granier et al. Nature Chemical Biology
- Finding the sweet spot: the role of nature and nurture in medicinal chemistry
- (2012) Michael M. Hann et al. NATURE REVIEWS DRUG DISCOVERY
- 2P2Idb: a structural database dedicated to orthosteric modulation of protein–protein interactions
- (2012) Marie Jeanne Basse et al. NUCLEIC ACIDS RESEARCH
- Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products
- (2012) José L. Medina-Franco et al. PLoS One
- Drug Repurposing and the Medicinal Chemist
- (2012) Jeffrey Aubé ACS Medicinal Chemistry Letters
- DOGS: Reaction-Driven de novo Design of Bioactive Compounds
- (2012) Markus Hartenfeller et al. PLoS Computational Biology
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- (2011) Fabian López-Vallejo et al. Chemical Biology & Drug Design
- Integrating Virtual Screening and Combinatorial Chemistry for Accelerated Drug Discovery
- (2011) Fabian Lopez-Vallejo et al. COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
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- (2011) Ian H. Gilbert et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
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- (2011) Bernard Faller et al. DRUG DISCOVERY TODAY
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- (2011) Gautier Moroy et al. DRUG DISCOVERY TODAY
- Scaffold Diversity of Exemplified Medicinal Chemistry Space
- (2011) Sarah R. Langdon et al. Journal of Chemical Information and Modeling
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- (2011) Christian Laggner et al. Nature Chemical Biology
- How were new medicines discovered?
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- Swimming into peptidomimetic chemical space using pepMMsMIMIC
- (2011) M. Floris et al. NUCLEIC ACIDS RESEARCH
- Carbohydrate chemistry in drug discovery
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- Towards the systematic exploration of chemical space
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- TCM Database@Taiwan: The World's Largest Traditional Chinese Medicine Database for Drug Screening In Silico
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- Drug profiling: knowing where it hits
- (2010) Alejandro Merino et al. DRUG DISCOVERY TODAY
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- Integrating computational and mixture-based screening of combinatorial libraries
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- Carbohydrate-Based Bioactive Compounds for Medicinal Chemistry Applications
- (2010) L. Cipolla et al. MINI-REVIEWS IN MEDICINAL CHEMISTRY
- Grand Challenge Commentary: Accessing new chemical space for 'undruggable' targets
- (2010) Sivaraman Dandapani et al. Nature Chemical Biology
- Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles
- (2010) P. A. Clemons et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Atomic Interactions and Profile of Small Molecules Disrupting Protein-Protein Interfaces: the TIMBAL Database
- (2009) Alícia P. Higueruelo et al. Chemical Biology & Drug Design
- Rationalizing the chemical space of protein–protein interaction inhibitors
- (2009) Olivier Sperandio et al. DRUG DISCOVERY TODAY
- Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository
- (2009) Narender Singh et al. Journal of Chemical Information and Modeling
- Modeling of peptides containing D-amino acids: implications on cyclization
- (2009) Austin B. Yongye et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Heteroaromatic Rings of the Future
- (2009) William R. Pitt et al. JOURNAL OF MEDICINAL CHEMISTRY
- Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
- (2009) Frank Lovering et al. JOURNAL OF MEDICINAL CHEMISTRY
- Interactive exploration of chemical space with Scaffold Hunter
- (2009) Stefan Wetzel et al. Nature Chemical Biology
- Scaffold Diversity Analysis of Compound Data Sets Using an Entropy-Based Measure
- (2009) Joseâ L. Medina-Franco et al. Quantitative structure-activity relationships & combinatorial science
- Visualization of the Chemical Space in Drug Discovery
- (2008) Jose Medina-Franco et al. Current Computer-Aided Drug Design
- The impact of natural products upon modern drug discovery
- (2008) A Ganesan CURRENT OPINION IN CHEMICAL BIOLOGY
- What has virtual screening ever done for drug discovery?
- (2008) David E Clark Expert Opinion on Drug Discovery
- Application of Combinatorial Chemistry Science on Modern Drug Discovery
- (2008) J. Phillip Kennedy et al. JOURNAL OF COMBINATORIAL CHEMISTRY
- Structural Diversity of Organic Chemistry. A Scaffold Analysis of the CAS Registry
- (2008) Alan H. Lipkus et al. JOURNAL OF ORGANIC CHEMISTRY
- Ribosomal Synthesis of Bicyclic Peptides via Two Orthogonal Inter-Side-Chain Reactions
- (2008) Yusuke Sako et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Synergies of Virtual Screening Approaches
- (2008) Ingo Muegge MINI-REVIEWS IN MEDICINAL CHEMISTRY
- The prince and the pauper. A tale of anticancer targeted agents
- (2008) Alfonso Dueñas-González et al. Molecular Cancer
- Network pharmacology: the next paradigm in drug discovery
- (2008) Andrew L Hopkins Nature Chemical Biology
- The exploration of macrocycles for drug discovery — an underexploited structural class
- (2008) Edward M. Driggers et al. NATURE REVIEWS DRUG DISCOVERY
- From rapid In Vitro screening to rapid In Vivo screening in the drug discovery process
- (2008) F Ivy Carroll et al. NEUROPSYCHOPHARMACOLOGY
- Strategies for the Use of Mixture-Based Synthetic Combinatorial Libraries: Scaffold Ranking, Direct Testing In Vivo, and Enhanced Deconvolution by Computational Methods
- (2007) Richard A. Houghten et al. JOURNAL OF COMBINATORIAL CHEMISTRY
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