(Q47323180)

14 January 2018

review article

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title

Improving the efficacy-safety balance of polypharmacology in multi-target drug discovery (English)

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14 January 2018

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14 January 2018

Balaguru Ravikumar

object named as

Balaguru Ravikumar

series ordinal

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language of work or name

English

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publication date

12 December 2017

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14 January 2018

Expert Opinion on Drug Discovery

published in

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14 January 2018

volume

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14 January 2018

issue

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14 January 2018

page(s)

179-192

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14 January 2018

Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia

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Paul Ehrlich's magic bullet concept: 100 years of progress

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Key factors in the rising cost of new drug discovery and development

21 January 2018

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Polypharmacology - foe or friend?

21 January 2018

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Compound promiscuity: what can we learn from current data?

21 January 2018

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A comprehensive map of molecular drug targets.

21 January 2018

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Chemical genetic discovery of targets and anti-targets for cancer polypharmacology

21 January 2018

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New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Polypharmacology: drug discovery for the future

21 January 2018

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21 January 2018

New uses for old drugs

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

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

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases

21 January 2018

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Sunitinib: a multitargeted receptor tyrosine kinase inhibitor in the era of molecular cancer therapies

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

A survey of current trends in computational drug repositioning

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

In silico methods to address polypharmacology: current status, applications and future perspectives

21 January 2018

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Reducing safety-related drug attrition: the use of in vitro pharmacological profiling.

21 January 2018

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Non-kinase targets of protein kinase inhibitors

21 January 2018

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Tivantinib (ARQ197) displays cytotoxic activity that is independent of its ability to bind MET.

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Target validation using chemical probes

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Applications of chemogenomic library screening in drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

NIH Molecular Libraries Initiative

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Strategies for the use of mixture-based synthetic combinatorial libraries: scaffold ranking, direct testing in vivo, and enhanced deconvolution by computational methods

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Progress towards a public chemogenomic set for protein kinases and a call for contributions

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Selective optimization of side activities: the SOSA approach

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Repositioning approved drugs for the treatment of problematic cancers using a screening approach.

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Utilizing targeted cancer therapeutic agents in combination: novel approaches and urgent requirements

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Analysis of drug combinations: current methodological landscape

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

A combinatorial strategy for treating KRAS-mutant lung cancer

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

High-Order Drug Combinations Are Required to Effectively Kill Colorectal Cancer Cells

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Comprehensive analysis of kinase inhibitor selectivity

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

21 January 2018

Navigating the kinome

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

The Cancer Cell Line Encyclopedia enables predictive modelling of anticancer drug sensitivity

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Genomics of Drug Sensitivity in Cancer (GDSC): a resource for therapeutic biomarker discovery in cancer cells

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

An interactive resource to identify cancer genetic and lineage dependencies targeted by small molecules.

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Machine-learning approaches in drug discovery: methods and applications

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Prediction of drug-target interactions and drug repositioning via network-based inference

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Elucidating Compound Mechanism of Action by Network Perturbation Analysis.

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Relating protein pharmacology by ligand chemistry

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

The role of fragment-based and computational methods in polypharmacology.

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Identification of drug candidates and repurposing opportunities through compound-target interaction networks

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

A review of network-based approaches to drug repositioning

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Recognizing protein-ligand binding sites by global structural alignment and local geometry refinement

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

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/10.1080%2F17460441.2018.1413089

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

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/10.1080%2F17460441.2018.1413089

idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

DRAR-CPI: a server for identifying drug repositioning potential and adverse drug reactions via the chemical–protein interactome

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Prediction of protein targets of kinetin using in silico and in vitro methods: a case study on spinach seed germination mechanism

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Identification of a Potential Target of Capsaicin by Computational Target Fishing.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Encoding protein-ligand interaction patterns in fingerprints and graphs

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Polypharmacology rescored: protein-ligand interaction profiles for remote binding site similarity assessment

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

BioGPS: navigating biological space to predict polypharmacology, off-targeting, and selectivity.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

A pharmacological organization of G protein-coupled receptors

21 January 2018

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https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Exploring polypharmacology using a ROCS-based target fishing approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

GES polypharmacology fingerprints: a novel approach for drug repositioning

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Comparison of the Predictive Performance and Interpretability of Random Forest and Linear Models on Benchmark Data Sets

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Classification of cytochrome P450 inhibitors and noninhibitors using combined classifiers

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Computational-experimental approach to drug-target interaction mapping: A case study on kinase inhibitors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

An Ameliorated Prediction of Drug-Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

A community effort to assess and improve drug sensitivity prediction algorithms.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

DIGRE: Drug-Induced Genomic Residual Effect Model for Successful Prediction of Multidrug Effects

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

A community computational challenge to predict the activity of pairs of compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Perturbation biology nominates upstream-downstream drug combinations in RAF inhibitor resistant melanoma cells

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

A Computational Approach for Identifying Synergistic Drug Combinations

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Automated design of ligands to polypharmacological profiles.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Multi-objective molecular de novo design by adaptive fragment prioritization.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

De novo design of multitarget ligands with an iterative fragment-growing strategy

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Global mapping of pharmacological space

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Prediction of drug-target interaction networks from the integration of chemical and genomic spaces.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Target inhibition networks: predicting selective combinations of druggable targets to block cancer survival pathways

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Identification of small molecules enhancing autophagic function from drug network analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

A Semi-Supervised Approach for Refining Transcriptional Signatures of Drug Response and Repositioning Predictions

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

PREDICT: a method for inferring novel drug indications with application to personalized medicine

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

The Drug Repurposing Hub: a next-generation drug library and information resource

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

A standard database for drug repositioning.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

Large-scale chemical similarity networks for target profiling of compounds identified in cell-based chemical screens

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

systemsDock: a web server for network pharmacology-based prediction and analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

C-SPADE: a web-tool for interactive analysis and visualization of drug screening experiments through compound-specific bioactivity dendrograms

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

DCDB 2.0: a major update of the drug combination database

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

ASDCD: antifungal synergistic drug combination database

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

DT-Web: a web-based application for drug-target interaction and drug combination prediction through domain-tuned network-based inference.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

SynergyFinder: a web application for analyzing drug combination dose-response matrix data

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

The inconvenience of data of convenience: computational research beyond post-mortem analyses

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F17460441.2018.1413089

10.1080/17460441.2018.1413089

21 January 2018

Identifiers

DOI

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14 January 2018

1 reference

14 January 2018