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Natural-product-derived fragments for fragment-based ligand discovery

Natural-product-derived fragments for fragment-based ligand discovery

http://www.wikidata.org/entity/Q27683610

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Capturing Biological Activity in Natural Product Fragments by Chemical Synthesis Ten things you should know about protein kinases: IUPHAR Review 14 Increasing Chemical Space Coverage by Combining Empirical and Computational Fragment Screens Conformational diversity in contryphans from Conus venom: cis-trans isomerisation and aromatic/proline interactions in the 23-membered ring of a 7-residue peptide disulfide loop A natural-product switch for a dynamic protein interface Capturing nature's diversity Assembly and clustering of natural antibiotics guides target identification The 'rule of three' for fragment-based drug discovery: where are we now?Advances in the design of a multipurpose fragment screening library.Translational synthetic chemistry.A three-stage biophysical screening cascade for fragment-based drug discovery.Biofragments: an approach towards predicting protein function using biologically related fragments and its application to Mycobacterium tuberculosis CYP126.Yeast synthetic biology platform generates novel chemical structures as scaffolds for drug discovery.Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery.The use of natural products in colorectal cancer drug discovery.Current status and prospects of computational resources for natural product dereplication: a review.Extending accessible chemical space for the identification of novel leads.Twenty years on: the impact of fragments on drug discovery.On the origins of three-dimensionality in drug-like molecules.Partially Saturated Bicyclic Heteroaromatics as an sp(3) -Enriched Fragment Collection.Charting Biologically Relevant Spirocyclic Compound Space.Strategies for the Optimization of Natural Leads to Anticancer Drugs or Drug Candidates.Developing new antibacterials through natural product research.History, biology and chemistry of Mycobacterium ulcerans infections (Buruli ulcer disease).Plant polyphenols in the treatment of age-associated diseases: revealing the pleiotropic effects of icariin by network analysis.A Comprehensive Structural Overview of p38α MAPK in Complex with Type I Inhibitors.What is the future for fragment-based drug discovery?Recent advances in the chemistry of metallated azetidines.Novel approaches for targeting kinases: allosteric inhibition, allosteric activation and pseudokinases.Towards the Next Generation of Computational Chemogenomics Tools.Iterative protecting group-free cross-coupling leading to chiral multiply arylated structures.Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolites Palladium-Catalyzed Directed C(sp(3))-H Arylation of Saturated Heterocycles at C-3 Using a Concise Optimization Approach Increasing the coverage of medicinal chemistry-relevant space in commercial fragments screening.Merging allosteric and active site binding motifs: de novo generation of target selectivity and potency via natural-product-derived fragments.Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm.Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.Catalytic asymmetric exo-selective [6+3] cycloaddition of iminoesters with fulvenes.Synthesis and Demonstration of the Biological Relevance of sp3 -rich Scaffolds Distantly Related to Natural Product Frameworks.Harnessing the potential of natural products in drug discovery from a cheminformatics vantage point.

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Natural-product-derived fragments for fragment-based ligand discovery

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2013 nî lūn-bûn

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2013 թուականի Յունուարին հրատարակուած գիտական յօդուած

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2013 թվականի հունվարին հրատարակված գիտական հոդված

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2013年の論文

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2013年論文

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2013年論文

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Natural-product-derived fragments for fragment-based ligand discovery

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Natural-product-derived fragments for fragment-based ligand discovery

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Natural-product-derived fragments for fragment-based ligand discovery

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Natural-product-derived fragments for fragment-based ligand discovery

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Natural-product-derived fragments for fragment-based ligand discovery

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Natural-product-derived fragments for fragment-based ligand discovery

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Natural-product-derived fragments for fragment-based ligand discovery

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Natural-product-derived fragments for fragment-based ligand discovery

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Nature Chemistry

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Natural-product-derived fragments for fragment-based ligand discovery

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Christian Grütter

http://www.w3.org/2001/XMLSchema#string

Stefan Wetzel

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Steffen Renner

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Yasushi Nakai

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P2860

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

A new screening assay for allosteric inhibitors of cSrc

Molecular Shape and Medicinal Chemistry: A Perspective

Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region

How well can fragments explore accessed chemical space? A case study from heat shock protein 90

A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes

ZINC: a free tool to discover chemistry for biology

Natural products as sources of new drugs over the 30 years from 1981 to 2010

Charting biologically relevant chemical space: a structural classification of natural products (SCONP)

Bioactivity-guided navigation of chemical space.

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10.1038/NCHEM.1506

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1

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Herbert Waldmann

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1042502097

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23247173

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