Improving the efficacy-safety balance of polypharmacology in multi-target drug discovery
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Title
Improving the efficacy-safety balance of polypharmacology in multi-target drug discovery
Authors
Keywords
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Journal
Expert Opinion on Drug Discovery
Volume 13, Issue 2, Pages 179-192
Publisher
Informa UK Limited
Online
2017-12-13
DOI
10.1080/17460441.2018.1413089
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Note: Only part of the references are listed.- Identification of drug-target interactions via multiple information integration
- (2017) Yijie Ding et al. INFORMATION SCIENCES
- An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features
- (2017) Cong Shen et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Comparison of the Predictive Performance and Interpretability of Random Forest and Linear Models on Benchmark Data Sets
- (2017) Richard L. Marchese Robinson et al. Journal of Chemical Information and Modeling
- The Drug Repurposing Hub: a next-generation drug library and information resource
- (2017) Steven M Corsello et al. NATURE MEDICINE
- The inconvenience of data of convenience: computational research beyond post-mortem analyses
- (2017) Chloé-Agathe Azencott et al. NATURE METHODS
- Non-kinase targets of protein kinase inhibitors
- (2017) Lenka Munoz NATURE REVIEWS DRUG DISCOVERY
- Applications of chemogenomic library screening in drug discovery
- (2017) Lyn H. Jones et al. NATURE REVIEWS DRUG DISCOVERY
- C-SPADE: a web-tool for interactive analysis and visualization of drug screening experiments through compound-specific bioactivity dendrograms
- (2017) Balaguru Ravikumar et al. NUCLEIC ACIDS RESEARCH
- Computational-experimental approach to drug-target interaction mapping: A case study on kinase inhibitors
- (2017) Anna Cichonska et al. PLoS Computational Biology
- A Computational Approach for Identifying Synergistic Drug Combinations
- (2017) Kaitlyn M. Gayvert et al. PLoS Computational Biology
- A standard database for drug repositioning
- (2017) Adam S. Brown et al. Scientific Data
- Repositioning approved drugs for the treatment of problematic cancers using a screening approach
- (2017) Hristo P. Varbanov et al. PLoS One
- Progress towards a public chemogenomic set for protein kinases and a call for contributions
- (2017) David H. Drewry et al. PLoS One
- High-Order Drug Combinations Are Required to Effectively Kill Colorectal Cancer Cells
- (2016) Thomas Horn et al. CANCER RESEARCH
- In silico methods to address polypharmacology: current status, applications and future perspectives
- (2016) Antonio Lavecchia et al. DRUG DISCOVERY TODAY
- A combinatorial strategy for treating KRAS-mutant lung cancer
- (2016) Eusebio Manchado et al. NATURE
- A comprehensive map of molecular drug targets
- (2016) Rita Santos et al. NATURE REVIEWS DRUG DISCOVERY
- systemsDock: a web server for network pharmacology-based prediction and analysis
- (2016) Kun-Yi Hsin et al. NUCLEIC ACIDS RESEARCH
- TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds: Fig. 1.
- (2015) Xian Liu et al. BIOINFORMATICS
- DT-Web: a web-based application for drug-target interaction and drug combination prediction through domain-tuned network-based inference
- (2015) Salvatore Alaimo et al. BMC Systems Biology
- A survey of current trends in computational drug repositioning
- (2015) Jiao Li et al. BRIEFINGS IN BIOINFORMATICS
- Elucidating Compound Mechanism of Action by Network Perturbation Analysis
- (2015) Jung Hoon Woo et al. CELL
- Machine-learning approaches in drug discovery: methods and applications
- (2015) Antonio Lavecchia DRUG DISCOVERY TODAY
- Identification of a Potential Target of Capsaicin by Computational Target Fishing
- (2015) Xuan-yi Ye et al. Evidence-based Complementary and Alternative Medicine
- Identification of drug candidates and repurposing opportunities through compound–target interaction networks
- (2015) Anna Cichonska et al. Expert Opinion on Drug Discovery
- Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation
- (2015) Tea Pemovska et al. NATURE
- BioGPS: Navigating biological space to predict polypharmacology, off-targeting, and selectivity
- (2015) Lydia Siragusa et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Large-Scale Chemical Similarity Networks for Target Profiling of Compounds Identified in Cell-Based Chemical Screens
- (2015) Yu-Chen Lo et al. PLoS Computational Biology
- Perturbation biology nominates upstream–downstream drug combinations in RAF inhibitor resistant melanoma cells
- (2015) Anil Korkut et al. eLife
- Classification of Cytochrome P450 Inhibitors and Noninhibitors Using Combined Classifiers
- (2015) Feixiong Cheng et al. Journal of Chemical Information and Modeling
- A Semi-Supervised Approach for Refining Transcriptional Signatures of Drug Response and Repositioning Predictions
- (2015) Francesco Iorio et al. PLoS One
- Multi-Objective Molecular De Novo Design by Adaptive Fragment Prioritization
- (2014) Michael Reutlinger et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- GES Polypharmacology Fingerprints: A Novel Approach for Drug Repositioning
- (2014) Violeta I. Pérez-Nueno et al. Journal of Chemical Information and Modeling
- De Novo Design of Multitarget Ligands with an Iterative Fragment-Growing Strategy
- (2014) Erchang Shang et al. Journal of Chemical Information and Modeling
- FDA halts then allows sales of Ariad's leukemia medication
- (2014) Melanie Senior NATURE BIOTECHNOLOGY
- A community computational challenge to predict the activity of pairs of compounds
- (2014) Mukesh Bansal et al. NATURE BIOTECHNOLOGY
- A community effort to assess and improve drug sensitivity prediction algorithms
- (2014) James C Costello et al. NATURE BIOTECHNOLOGY
- ASDCD: Antifungal Synergistic Drug Combination Database
- (2014) Xing Chen et al. PLoS One
- Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus
- (2014) D. Reker et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Polypharmacology rescored: Protein–ligand interaction profiles for remote binding site similarity assessment
- (2014) Sebastian Salentin et al. PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY
- DCDB 2.0: a major update of the drug combination database
- (2014) Y. Liu et al. Database-The Journal of Biological Databases and Curation
- An Interactive Resource to Identify Cancer Genetic and Lineage Dependencies Targeted by Small Molecules
- (2013) Amrita Basu et al. CELL
- Tivantinib (ARQ197) Displays Cytotoxic Activity That Is Independent of Its Ability to Bind MET
- (2013) C. Basilico et al. CLINICAL CANCER RESEARCH
- Compound promiscuity: what can we learn from current data?
- (2013) Ye Hu et al. DRUG DISCOVERY TODAY
- Encoding Protein–Ligand Interaction Patterns in Fingerprints and Graphs
- (2013) Jérémy Desaphy et al. Journal of Chemical Information and Modeling
- Polypharmacology – Foe or Friend?
- (2013) Jens-Uwe Peters JOURNAL OF MEDICINAL CHEMISTRY
- Target validation using chemical probes
- (2013) Mark E Bunnage et al. Nature Chemical Biology
- A pharmacological organization of G protein–coupled receptors
- (2013) Henry Lin et al. NATURE METHODS
- Target Inhibition Networks: Predicting Selective Combinations of Druggable Targets to Block Cancer Survival Pathways
- (2013) Jing Tang et al. PLoS Computational Biology
- Chemical genetic discovery of targets and anti-targets for cancer polypharmacology
- (2012) Arvin C. Dar et al. NATURE
- The Cancer Cell Line Encyclopedia enables predictive modelling of anticancer drug sensitivity
- (2012) Jordi Barretina et al. NATURE
- Automated design of ligands to polypharmacological profiles
- (2012) Jérémy Besnard et al. NATURE
- Reducing safety-related drug attrition: the use of in vitro pharmacological profiling
- (2012) Joanne Bowes et al. NATURE REVIEWS DRUG DISCOVERY
- Genomics of Drug Sensitivity in Cancer (GDSC): a resource for therapeutic biomarker discovery in cancer cells
- (2012) Wanjuan Yang et al. NUCLEIC ACIDS RESEARCH
- idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach
- (2012) Jui-Chih Wang et al. NUCLEIC ACIDS RESEARCH
- Recognizing Protein-Ligand Binding Sites by Global Structural Alignment and Local Geometry Refinement
- (2012) Ambrish Roy et al. STRUCTURE
- Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference
- (2012) Feixiong Cheng et al. PLoS Computational Biology
- Polypharmacology: drug discovery for the future
- (2012) A Srinivas Reddy et al. Expert Review of Clinical Pharmacology
- Old friends in new guise: repositioning of known drugs with structural bioinformatics
- (2011) V. J. Haupt et al. BRIEFINGS IN BIOINFORMATICS
- The role of fragment-based and computational methods in polypharmacology
- (2011) Giovanni Bottegoni et al. DRUG DISCOVERY TODAY
- Exploring Polypharmacology Using a ROCS-Based Target Fishing Approach
- (2011) Mohamed Diwan M. AbdulHameed et al. Journal of Chemical Information and Modeling
- PREDICT: a method for inferring novel drug indications with application to personalized medicine
- (2011) A. Gottlieb et al. Molecular Systems Biology
- Comprehensive analysis of kinase inhibitor selectivity
- (2011) Mindy I Davis et al. NATURE BIOTECHNOLOGY
- Navigating the kinome
- (2011) James T Metz et al. Nature Chemical Biology
- DRAR-CPI: a server for identifying drug repositioning potential and adverse drug reactions via the chemical–protein interactome
- (2011) Heng Luo et al. NUCLEIC ACIDS RESEARCH
- New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
- (2010) Jonathan B. Baell et al. JOURNAL OF MEDICINAL CHEMISTRY
- Utilizing targeted cancer therapeutic agents in combination: novel approaches and urgent requirements
- (2010) Shivanni Kummar et al. NATURE REVIEWS DRUG DISCOVERY
- PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach
- (2010) Xiaofeng Liu et al. NUCLEIC ACIDS RESEARCH
- Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements
- (2010) Enrico De Franchi et al. PLoS One
- Discovery of drug mode of action and drug repositioning from transcriptional responses
- (2010) F. Iorio et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Sunitinib
- (2009) Georgios S. Papaetis et al. BIODRUGS
- Systematic Evaluation of Drug–Disease Relationships to Identify Leads for Novel Drug Uses
- (2009) A P Chiang et al. CLINICAL PHARMACOLOGY & THERAPEUTICS
- Drug Discovery Using Chemical Systems Biology: Identification of the Protein-Ligand Binding Network To Explain the Side Effects of CETP Inhibitors
- (2009) Li Xie et al. PLoS Computational Biology
- Prediction of drug-target interaction networks from the integration of chemical and genomic spaces
- (2008) Y. Yamanishi et al. BIOINFORMATICS
- Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases
- (2008) Beth Apsel et al. Nature Chemical Biology
- Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments
- (2008) L. Xie et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- A simple and fuzzy method to align and compare druggable ligand-binding sites
- (2008) Claire Schalon et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- 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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