The evolution of drug discovery: from phenotypes to targets, and back

Neuropharmacology beyond reductionism – A likely prospect

(2016) Doru Georg Margineanu   BIOSYSTEMS

Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives

(2016) Krishna C. Bulusu et al.   DRUG DISCOVERY TODAY

Rational Polypharmacology: Systematically Identifying and Engaging Multiple Drug Targets To Promote Axon Growth

(2015) Hassan Al-Ali et al.   ACS Chemical Biology

Fragment-Based Discovery of a Dual pan-RET/VEGFR2 Kinase Inhibitor Optimized for Single-Agent Polypharmacology

(2015) Brendan Frett et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

High-Content Assay Multiplexing for Toxicity Screening in Induced Pluripotent Stem Cell-Derived Cardiomyocytes and Hepatocytes

(2015) Fabian Alexander Grimm et al.   ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES

Systematic Mapping of Kinase Addiction Combinations in Breast Cancer Cells by Integrating Drug Sensitivity and Selectivity Profiles

(2015) Agnieszka Szwajda et al.   CHEMISTRY & BIOLOGY

Correlating chemical sensitivity and basal gene expression reveals mechanism of action

(2015) Matthew G Rees et al.   Nature Chemical Biology

Pioneering government-sponsored drug repositioning collaborations: progress and learning

(2015) Donald E. Frail et al.   NATURE REVIEWS DRUG DISCOVERY

“The future of in vitro toxicology”

(2015) Paul Jennings   TOXICOLOGY IN VITRO

Inhibition of Lapatinib-Induced Kinome Reprogramming in ERBB2-Positive Breast Cancer by Targeting BET Family Bromodomains

(2015) Timothy J. Stuhlmiller et al.   Cell Reports

Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors

(2014) Stuart W. J. Ember et al.   ACS Chemical Biology

SIRT7 Controls Hepatic Lipid Metabolism by Regulating the Ubiquitin-Proteasome Pathway

(2014) Tatsuya Yoshizawa et al.   Cell Metabolism

Spinal Cord Regeneration

(2014) Wise Young   CELL TRANSPLANTATION

An overview of FDA-approved new molecular entities: 1827–2013

(2014) Michael S. Kinch et al.   DRUG DISCOVERY TODAY

Inheritance of rare functional GCKR variants and their contribution to triglyceride levels in families

(2014) Matthew G. Rees et al.   HUMAN MOLECULAR GENETICS

Polypharmacology: Challenges and Opportunities in Drug Discovery

(2014) Andrew Anighoro et al.   JOURNAL OF MEDICINAL CHEMISTRY

Clinical development success rates for investigational drugs

(2014) Michael Hay et al.   NATURE BIOTECHNOLOGY

Dual kinase-bromodomain inhibitors for rationally designed polypharmacology

(2014) Pietro Ciceri et al.   Nature Chemical Biology

The discovery of first-in-class drugs: origins and evolution

(2014) Jörg Eder et al.   NATURE REVIEWS DRUG DISCOVERY

Phenotypic screening in cancer drug discovery — past, present and future

(2014) John G. Moffat et al.   NATURE REVIEWS DRUG DISCOVERY

High-throughput combinatorial screening identifies drugs that cooperate with ibrutinib to kill activated B-cell–like diffuse large B-cell lymphoma cells

(2014) Lesley A. Mathews Griner et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Exploiting polypharmacology for drug target deconvolution

(2014) Taranjit Singh Gujral et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Target control of complex networks

(2014) Jianxi Gao et al.   Nature Communications

Discovering novel neuroactive drugs through high-throughput behavior-based chemical screening in the zebrafish

(2014) Giancarlo Bruni et al.   Frontiers in Pharmacology

Chemical Interrogation of the Neuronal Kinome Using a Primary Cell-Based Screening Assay

(2013) Hassan Al-Ali et al.   ACS Chemical Biology

A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery

(2013) Yinghong Gao et al.   BIOCHEMICAL JOURNAL

Phenotypic vs. Target-Based Drug Discovery for First-in-Class Medicines

(2013) D C Swinney   CLINICAL PHARMACOLOGY & THERAPEUTICS

Toward better drug repositioning: prioritizing and integrating existing methods into efficient pipelines

(2013) Guangxu Jin et al.   DRUG DISCOVERY TODAY

Activity profile relationships between structurally similar promiscuous compounds

(2013) Ye Hu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Addressing Selective Polypharmacology of Antipsychotic Drugs Targeting the Bioaminergic Receptors through Receptor Dynamic Conformational Ensembles

(2013) Balaji Selvam et al.   Journal of Chemical Information and Modeling

Polypharmacology – Foe or Friend?

(2013) Jens-Uwe Peters   JOURNAL OF MEDICINAL CHEMISTRY

Calculated treatment

(2013) Natalia L. Komarova et al.   NATURE

Individualized Systems Medicine Strategy to Tailor Treatments for Patients with Chemorefractory Acute Myeloid Leukemia

(2013) T. Pemovska et al.   Cancer Discovery

Rational Drug Design for Identifying Novel Multi-target Inhibitors for Hepatocellular Carcinoma

(2012) Ahmed Temirak et al.   Anti-Cancer Agents in Medicinal Chemistry

Abstract 2547: NCI-60 combination screening matrix of approved anticancer drugs

(2012) Susan L. Holbeck et al.   CANCER RESEARCH

Comparing Measures of Promiscuity and Exploring Their Relationship to Toxicity

(2012) Xiangyun Wang et al.   Molecular Informatics

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

(2012) Arvin C. Dar et al.   NATURE

Using transcriptome sequencing to identify mechanisms of drug action and resistance

(2012) Sarah A Wacker et al.   Nature Chemical Biology

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

(2012) Joanne Bowes et al.   NATURE REVIEWS DRUG DISCOVERY

Diagnosing the decline in pharmaceutical R&D efficiency

(2012) Jack W. Scannell et al.   NATURE REVIEWS DRUG DISCOVERY

On the origins of drug polypharmacology

(2012) Xavier Jalencas et al.   MedChemComm

Chemical Genetics–Based Target Identification in Drug Discovery

(2011) Feng Cong et al.   Annual Review of Pharmacology and Toxicology

Design of Multitarget Activity Landscapes That Capture Hierarchical Activity Cliff Distributions

(2011) Dilyana Dimova et al.   Journal of Chemical Information and Modeling

Controllability of complex networks

(2011) Yang-Yu Liu et al.   NATURE

Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity

(2011) Theonie Anastassiadis et al.   NATURE BIOTECHNOLOGY

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

Bugs, drugs and chemical genomics

(2011) Terry Roemer et al.   Nature Chemical Biology

Networking for new drugs

(2011) Claire Ainsworth   NATURE MEDICINE

How were new medicines discovered?

(2011) David C. Swinney et al.   NATURE REVIEWS DRUG DISCOVERY

The productivity crisis in pharmaceutical R&D

(2011) Fabio Pammolli et al.   NATURE REVIEWS DRUG DISCOVERY

Impact of high-throughput screening in biomedical research

(2011) Ricardo Macarron et al.   NATURE REVIEWS DRUG DISCOVERY

Drug Combination Studies and Their Synergy Quantification Using the Chou-Talalay Method

(2010) T.-C. Chou   CANCER RESEARCH

Trends in Risks Associated With New Drug Development: Success Rates for Investigational Drugs

(2010) J A DiMasi et al.   CLINICAL PHARMACOLOGY & THERAPEUTICS

Pharmaceutical Innovation in the 21st Century: New Drug Approvals in the First Decade, 2000–2009

(2010) K I Kaitin et al.   CLINICAL PHARMACOLOGY & THERAPEUTICS

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

(2010) Shivanni Kummar et al.   NATURE REVIEWS DRUG DISCOVERY

High-content screening of primary neurons: ready for prime time

(2009) Aaron Daub et al.   CURRENT OPINION IN NEUROBIOLOGY

Target profiling of small molecules by chemical proteomics

(2009) Uwe Rix et al.   Nature Chemical Biology

Prediction of protein-glucose binding sites using support vector machines

(2009) Houssam Nassif et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

(2008) Beth Apsel et al.   Nature Chemical Biology

Network pharmacology: the next paradigm in drug discovery

(2008) Andrew L Hopkins   Nature Chemical Biology