Old friends in new guise: repositioning of known drugs with structural bioinformatics (Q37858324)

24 August 2017

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title

Old friends in new guise: repositioning of known drugs with structural bioinformatics (English)

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24 August 2017

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2

Michael Schroeder

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24 August 2017

V Joachim Haupt

1

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24 August 2017

26 March 2011

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Briefings in Bioinformatics

24 August 2017

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24 August 2017

12

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24 August 2017

312-326

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24 August 2017

4

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The Nobel chronicles. 1988: James Whyte Black, (b 1924), Gertrude Elion (1918-99), and George H Hitchings (1905-98).

24 August 2017

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

21 January 2018

New uses for old drugs

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

The price of innovation: new estimates of drug development costs

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Complementary new approaches enable repositioning of failed drug candidates.

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

One target-multiple indications: a call for an integrated common mechanisms strategy

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Drug repositioning: identifying and developing new uses for existing drugs

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Rare diseases, orphan drugs and their regulation: questions and misconceptions

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

A side effect resource to capture phenotypic effects of drugs

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Binding of protein kinase inhibitors to synapsin I inferred from pair-wise binding site similarity measurements

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Protein promiscuity and its implications for biotechnology

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

The many faces of protein-protein interactions: A compendium of interface geometry

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Degeneracy: a design principle for achieving robustness and evolvability

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Drugs, their targets and the nature and number of drug targets

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

How many drug targets are there?

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

DrugBank: a comprehensive resource for in silico drug discovery and exploration

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Global mapping of pharmacological space

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

PubChem as a public resource for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Drug discovery: playing dirty

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Promiscuous drugs compared to selective drugs (promiscuity can be a virtue)

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Can we rationally design promiscuous drugs?

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Network pharmacology: the next paradigm in drug discovery

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Predicting new molecular targets for known drugs

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Prediction of ligand binding sites using homologous structures and conservation at CASP8.

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Do structurally similar molecules have similar biological activity?

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Randomized, double-blind clinical evaluation of the efficacy and safety of topical eflornithine HCl 13.9% cream in the treatment of women with facial hair

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Difluoromethylornithine for arseno-resistant Trypanosoma brucei gambiense sleeping sickness

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Leishmaniasis: drugs in the clinic, resistance and new developments.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Tamoxifen is effective against Leishmania and induces a rapid alkalinization of parasitophorous vacuoles harbouring Leishmania (Leishmania) amazonensis amastigotes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

A clinical drug library screen identifies astemizole as an antimalarial agent

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Repositioning of an existing drug for the neglected tropical disease Onchocerciasis

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Novel opportunities for computational biology and sociology in drug discovery.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Meropenem-Clavulanate Is Effective Against Extensively Drug-Resistant Mycobacterium tuberculosis

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Anti-HIV drugs for cancer therapeutics: back to the future?

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Repositioning HIV protease inhibitors as cancer therapeutics

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Sulindac Inhibits Canonical Wnt Signaling by Blocking the PDZ Domain of the Protein Dishevelled

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Chemical and structural biology to direct the repurposing of sulindac.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Inhibition of angiogenesis by the antifungal drug itraconazole

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Repurposing an old anti-fungal drug as a Hedgehog inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

The anti-protozoal drug pentamidine blocks KIR2.x-mediated inward rectifier current by entering the cytoplasmic pore region of the channel.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Finding new tricks for old drugs: an efficient route for public-sector drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Antitumor activity of thalidomide in refractory multiple myeloma

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Oral sildenafil in the treatment of erectile dysfunction. Sildenafil Study Group

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Update of TTD: Therapeutic Target Database

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

DrugBank: a knowledgebase for drugs, drug actions and drug targets

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

SuperTarget and Matador: resources for exploring drug-target relationships

21 January 2018

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

21 January 2018

The Protein Data Bank

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https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

The RCSB Protein Data Bank: redesigned web site and web services

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

sc-PDB: an annotated database of druggable binding sites from the Protein Data Bank

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

A series of PDB related databases for everyday needs

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

PESDserv: a server for high-throughput comparison of protein binding site surfaces

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

ProBiS algorithm for detection of structurally similar protein binding sites by local structural alignment

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Superpose3D: a local structural comparison program that allows for user-defined structure representations

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

A simple and fuzzy method to align and compare druggable ligand-binding sites.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

SMAP-WS: a parallel web service for structural proteome-wide ligand-binding site comparison

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

PocketMatch: a new algorithm to compare binding sites in protein structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Alignment-free ultra-high-throughput comparison of druggable protein-ligand binding sites

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Binding similarity network of ligand.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Equivalent binding sites reveal convergently evolved interaction motifs

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Towards a structural classification of phosphate binding sites in protein-nucleotide complexes: an automated all-against-all structural comparison using geometric matching

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

A multidimensional strategy to detect polypharmacological targets in the absence of structural and sequence homology

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Structure-Based Approaches to Target Fishing and Ligand Profiling

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Predicting polypharmacology by binding site similarity: from kinases to the protein universe

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Drug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Fold independent structural comparisons of protein-ligand binding sites for exploring functional relationships

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

The SWISS-MODEL Repository and associated resources

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

ModBase, a database of annotated comparative protein structure models, and associated resources

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

21 January 2018

The Protein Model Portal

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Protein structure prediction: when is it useful?

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Recipes for the selection of experimental protein conformations for virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Beauty is in the eye of the beholder: proteins can recognize binding sites of homologous proteins in more than one way

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

The binding mode of epothilone A on alpha,beta-tubulin by electron crystallography

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Modular architecture of nucleotide-binding pockets.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Systems biology approaches and tools for analysis of interactomes and multi-target drugs

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Visualizing the drug target landscape

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Unveiling the role of network and systems biology in drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Unraveling protein networks with power graph analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Building a drug-target network and its applications

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Identification of small molecules enhancing autophagic function from drug network analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Literature mining in support of drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Mining connections between chemicals, proteins, and diseases extracted from Medline annotations

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Drug target identification using side-effect similarity

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Systematic evaluation of drug-disease relationships to identify leads for novel drug uses

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Novel statistical tools for monitoring the safety of marketed drugs

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Identifying unexpected therapeutic targets via chemical-protein interactome

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Application of drug repositioning strategy to TOFISOPAM.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

PDE4 inhibitors: current status

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Virtual screening: an endless staircase?

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Self-organizing maps in drug discovery: compound library design, scaffold-hopping, repurposing

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

Drug Discovery in a Multidimensional World: Systems, Patterns, and Networks

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBR011

21 January 2018

Identifiers

DOI

10.1093/BIB/BBR011

1 reference

24 August 2017

journals/bib/HauptS11

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PubMed ID

21441562