Screening Strategies and Methods for Better Off-Target Liability Prediction and Identification of Small-Molecule Pharmaceuticals

Metformin-Induced Lactic Acidosis (MILA): Review of current diagnostic paradigm

(2018) Lauren Krowl et al.   AMERICAN JOURNAL OF EMERGENCY MEDICINE

High-Throughput Gene Expression Profiles to Define Drug Similarity and Predict Compound Activity

(2018) Hans De Wolf et al.   ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES

L1000FWD: fireworks visualization of drug-induced transcriptomic signatures

(2018) Zichen Wang et al.   BIOINFORMATICS

Application of CRISPR-Cas9 Based Genome-Wide Screening Approaches to Study Cellular Signalling Mechanisms

(2018) Sumana Sharma et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Enabling the hypothesis-driven prioritization of ligand candidates in big databases: Screenlamp and its application to GPCR inhibitor discovery for invasive species control

(2018) Sebastian Raschka et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

A CRISPR-based screen for Hedgehog signaling provides insights into ciliary function and ciliopathies

(2018) David K. Breslow et al.   NATURE GENETICS

Use of toxicogenomics in drug safety evaluation: Current status and an industry perspective

(2018) John L. Vahle et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

A big data approach to the concordance of the toxicity of pharmaceuticals in animals and humans

(2018) Matthew Clark et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Evaluation of the relevance of DILI predictive hypotheses in early drug development: review of in vitro methodologies vs. BDDCS classification

(2018) Rosa Chan et al.   Toxicology Research

Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design

(2018) Shaherin Basith et al.   Frontiers in Pharmacology

Metformin selectively targets redox control of complex I energy transduction

(2018) Amy R. Cameron et al.   Redox Biology

The Library of Integrated Network-Based Cellular Signatures NIH Program: System-Level Cataloging of Human Cells Response to Perturbations

(2018) Alexandra B. Keenan et al.   Cell Systems

Navigating tissue chips from development to dissemination: A pharmaceutical industry perspective

(2017) Lorna Ewart et al.   EXPERIMENTAL BIOLOGY AND MEDICINE

Large-Scale Analysis of Breast Cancer-Related Conformational Changes in Proteins Using SILAC-SPROX

(2017) Fang Liu et al.   JOURNAL OF PROTEOME RESEARCH

Targeting acute myeloid leukemia by drug-induced c-MYB degradation

(2017) V Walf-Vorderwülbecke et al.   LEUKEMIA

Identifying synthetic lethal targets using CRISPR/Cas9 system

(2017) Jaspreet Kaur Dhanjal et al.   METHODS

Combined CRISPRi/a-Based Chemical Genetic Screens Reveal that Rigosertib Is a Microtubule-Destabilizing Agent

(2017) Marco Jost et al.   MOLECULAR CELL

Polypharmacology-based ceritinib repurposing using integrated functional proteomics

(2017) Brent M Kuenzi et al.   Nature Chemical Biology

The EED protein–protein interaction inhibitor A-395 inactivates the PRC2 complex

(2017) Yupeng He et al.   Nature Chemical Biology

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

(2017) Steven M Corsello et al.   NATURE MEDICINE

From basic apoptosis discoveries to advanced selective BCL-2 family inhibitors

(2017) Avi Ashkenazi et al.   NATURE REVIEWS DRUG DISCOVERY

A Pathway to Personalizing Therapy for Metastases Using Liver-on-a-Chip Platforms

(2017) A. S. Khazali et al.   Stem Cell Reviews and Reports

Sedaxane—Use of Nuclear Receptor Transactivation Assays, Toxicogenomics, and Toxicokinetics as Part of a Mode of Action Framework for Rodent Liver Tumors

(2017) Richard C Peffer et al.   TOXICOLOGICAL SCIENCES

From Classical Toxicology to Tox21: Some Critical Conceptual and Technological Advances in the Molecular Understanding of the Toxic Response Beginning From the Last Quarter of the 20th Century

(2017) Supratim Choudhuri et al.   TOXICOLOGICAL SCIENCES

The use of high-throughput screening techniques to evaluate mitochondrial toxicity

(2017) Lauren P. Wills   TOXICOLOGY

A transcriptomics data-driven gene space accurately predicts liver cytopathology and drug-induced liver injury

(2017) Pekka Kohonen et al.   Nature Communications

Common and cell-type specific responses to anti-cancer drugs revealed by high throughput transcript profiling

(2017) Mario Niepel et al.   Nature Communications

Potential functional and pathological side effects related to off-target pharmacological activity

(2017) James J. Lynch et al.   JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS

A Pathway to Personalizing Therapy for Metastases Using Liver-on-a-Chip Platforms

(2017) A. S. Khazali et al.   Stem Cell Reviews and Reports

Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space

(2017) Antonio Peón et al.   Scientific Reports

The FDA’s Experience with Emerging Genomics Technologies—Past, Present, and Future

(2016) Joshua Xu et al.   AAPS Journal

Chemical Proteomics Reveals Ferrochelatase as a Common Off-target of Kinase Inhibitors

(2016) Susan Klaeger et al.   ACS Chemical Biology

Improved Deconvolution of Protein Targets for Bioactive Compounds Using a Palladium Cleavable Chloroalkane Capture Tag

(2016) Rachel Friedman Ohana et al.   ACS Chemical Biology

The Cellular Thermal Shift Assay: A Novel Biophysical Assay for In Situ Drug Target Engagement and Mechanistic Biomarker Studies

(2016) Daniel Martinez Molina et al.   Annual Review of Pharmacology and Toxicology

Transcriptional Characterization of Compounds: Lessons Learned from the Public LINCS Data

(2016) Hans De Wolf et al.   ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES

Assessment of whole blood thrombosis in a microfluidic device lined by fixed human endothelium

(2016) Abhishek Jain et al.   BIOMEDICAL MICRODEVICES

False HDAC Inhibition by Aurone Compound

(2016) Yukihiro Itoh et al.   CHEMICAL & PHARMACEUTICAL BULLETIN

Using reverse docking for target identification and its applications for drug discovery

(2016) Aeri Lee et al.   Expert Opinion on Drug Discovery

Identification of protein binding partners of small molecules using label-free methods

(2016) Chaitanya Saxena   Expert Opinion on Drug Discovery

Drug Affinity Responsive Target Stability (DARTS) Identifies Laurifolioside as a New Clathrin Heavy Chain Modulator

(2016) Fabrizio Dal Piaz et al.   JOURNAL OF NATURAL PRODUCTS

FK506, an Immunosuppressive Drug, Induces Autophagy by Binding to the V-ATPase Catalytic Subunit A in Neuronal Cells

(2016) Dongyoung Kim et al.   JOURNAL OF PROTEOME RESEARCH

Identifying the cellular targets of natural products using T7 phage display

(2016) Andrew M. Piggott et al.   NATURAL PRODUCT REPORTS

Organoids as an in vitro model of human development and disease

(2016) Aliya Fatehullah et al.   NATURE CELL BIOLOGY

A genome-wide CRISPR screen identifies a restricted set of HIV host dependency factors

(2016) Ryan J Park et al.   NATURE GENETICS

Computational protein–ligand docking and virtual drug screening with the AutoDock suite

(2016) Stefano Forli et al.   Nature Protocols

Evolution of strategies to improve preclinical cardiac safety testing

(2016) Gary Gintant et al.   NATURE REVIEWS DRUG DISCOVERY

ChemProt-3.0: a global chemical biology diseases mapping

(2016) Jens Kringelum et al.   Database-The Journal of Biological Databases and Curation

Filtered circular fingerprints improve either prediction or runtime performance while retaining interpretability

(2016) Martin Gütlein et al.   Journal of Cheminformatics

Failure of Investigational Drugs in Late-Stage Clinical Development and Publication of Trial Results

(2016) Thomas J. Hwang et al.   JAMA Internal Medicine

Tissue chips to aid drug development and modeling for rare diseases

(2016) Lucie A. Low et al.   Expert Opinion on Orphan Drugs

Facilitating the commercialization and use of organ platforms generated by the microphysiological systems (Tissue Chip) program through public–private partnerships

(2016) Christine A. Livingston et al.   Computational and Structural Biotechnology Journal

Deciphering the Cellular Targets of Bioactive Compounds Using a Chloroalkane Capture Tag

(2015) Rachel Friedman Ohana et al.   ACS Chemical Biology

TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds: Fig. 1.

(2015) Xian Liu et al.   BIOINFORMATICS

Toxicology Strategies for Drug Discovery: Present and Future

(2015) Eric A. G. Blomme et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Toxicity of a novel therapeutic agent targeting mitochondrial complex I

(2015) CC Low Wang et al.   CLINICAL PHARMACOLOGY & THERAPEUTICS

The impact of CRISPR–Cas9 on target identification and validation

(2015) Jonathan D. Moore   DRUG DISCOVERY TODAY

Optimized Chemical Proteomics Assay for Kinase Inhibitor Profiling

(2015) Guillaume Médard et al.   JOURNAL OF PROTEOME RESEARCH

Characterization of the Saccharomyces cerevisiae ATP-Interactome using the iTRAQ-SPROX Technique

(2015) M. Ariel Geer et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Proteome-wide drug and metabolite interaction mapping by thermal-stability profiling

(2015) Kilian V M Huber et al.   NATURE METHODS

Thermal proteome profiling monitors ligand interactions with cellular membrane proteins

(2015) Friedrich B M Reinhard et al.   NATURE METHODS

Thermal proteome profiling for unbiased identification of direct and indirect drug targets using multiplexed quantitative mass spectrometry

(2015) Holger Franken et al.   Nature Protocols

Organs-on-chips at the frontiers of drug discovery

(2015) Eric W. Esch et al.   NATURE REVIEWS DRUG DISCOVERY

An analysis of the attrition of drug candidates from four major pharmaceutical companies

(2015) Michael J. Waring et al.   NATURE REVIEWS DRUG DISCOVERY

STITCH 5: augmenting protein–chemical interaction networks with tissue and affinity data

(2015) Damian Szklarczyk et al.   NUCLEIC ACIDS RESEARCH

Mining the Archives: A Cross-Platform Analysis of Gene Expression Profiles in Archival Formalin-Fixed Paraffin-Embedded Tissues

(2015) A. Francina Webster et al.   TOXICOLOGICAL SCIENCES

Acute toxicity of CCl4 but not of paracetamol induces a transcriptomic signature of fibrosis in precision-cut liver slices

(2015) Suresh Vatakuti et al.   TOXICOLOGY IN VITRO

Synthetic biology for pharmaceutical drug discovery

(2015) Jean-Yves Trosset et al.   Drug Design Development and Therapy

Tricyclic Covalent Inhibitors Selectively Target Jak3 through an Active Site Thiol

(2015) Eric R. Goedken et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Human iPSC-based Cardiac Microphysiological System For Drug Screening Applications

(2015) Anurag Mathur et al.   Scientific Reports

Spontaneous dormancy of metastatic breast cancer cells in an all human liver microphysiologic system

(2014) S E Wheeler et al.   BRITISH JOURNAL OF CANCER

Target Identification of Grape Seed Extract in Colorectal Cancer Using Drug Affinity Responsive Target Stability (DARTS) Technique: Role of Endoplasmic Reticulum Stress Response Proteins

(2014) Molly Derry et al.   CURRENT CANCER DRUG TARGETS

Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances

(2014) Evanthia Lionta et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

A microphysiological system model of therapy for liver micrometastases

(2014) Amanda M Clark et al.   EXPERIMENTAL BIOLOGY AND MEDICINE

Reverse docking: a powerful tool for drug repositioning and drug rescue

(2014) Prashant S Kharkar et al.   Future Medicinal Chemistry

RNA-Seq-based toxicogenomic assessment of fresh frozen and formalin-fixed tissues yields similar mechanistic insights

(2014) Scott S. Auerbach et al.   JOURNAL OF APPLIED TOXICOLOGY

Clinical development success rates for investigational drugs

(2014) Michael Hay et al.   NATURE BIOTECHNOLOGY

Phenotypic screening of the ToxCast chemical library to classify toxic and therapeutic mechanisms

(2014) Nicole C Kleinstreuer et al.   NATURE BIOTECHNOLOGY

Lessons learned from the fate of AstraZeneca's drug pipeline: a five-dimensional framework

(2014) David Cook et al.   NATURE REVIEWS DRUG DISCOVERY

SwissTargetPrediction: a web server for target prediction of bioactive small molecules

(2014) David Gfeller et al.   NUCLEIC ACIDS RESEARCH

Open TG-GATEs: a large-scale toxicogenomics database

(2014) Yoshinobu Igarashi et al.   NUCLEIC ACIDS RESEARCH

SuperPred: update on drug classification and target prediction

(2014) Janette Nickel et al.   NUCLEIC ACIDS RESEARCH

DINIES: drug–target interaction network inference engine based on supervised analysis

(2014) Yoshihiro Yamanishi et al.   NUCLEIC ACIDS RESEARCH

LINCS Canvas Browser: interactive web app to query, browse and interrogate LINCS L1000 gene expression signatures

(2014) Qiaonan Duan et al.   NUCLEIC ACIDS RESEARCH

Adverse Drug Reaction Prediction Using Scores Produced by Large-Scale Drug-Protein Target Docking on High-Performance Computing Machines

(2014) Montiago X. LaBute et al.   PLoS One

Whole Genome Transcript Profiling of Drug Induced Steatosis in Rats Reveals a Gene Signature Predictive of Outcome

(2014) Nishika Sahini et al.   PLoS One

Applying Adverse Outcome Pathways (AOPs) to support Integrated Approaches to Testing and Assessment (IATA)

(2014) Knut Erik Tollefsen et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Tracking cancer drugs in living cells by thermal profiling of the proteome

(2014) M. M. Savitski et al.   SCIENCE

Identification of Specific mRNA Signatures as Fingerprints for Carcinogenesis in Mice Induced by Genotoxic and Nongenotoxic Hepatocarcinogens

(2014) Nadine Kossler et al.   TOXICOLOGICAL SCIENCES

TargetHunter: An In Silico Target Identification Tool for Predicting Therapeutic Potential of Small Organic Molecules Based on Chemogenomic Database

(2013) Lirong Wang et al.   AAPS Journal

Target Identification for Small Bioactive Molecules: Finding the Needle in the Haystack

(2013) Slava Ziegler et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Biomarkers in pharmacology and drug discovery

(2013) D.C. Anderson et al.   BIOCHEMICAL PHARMACOLOGY

Causal analysis approaches in Ingenuity Pathway Analysis

(2013) Andreas Krämer et al.   BIOINFORMATICS

Determination of Relative Notch1 and γ-Secretase-Related Gene Expression in Puromycin-Treated Microdissected Rat Kidneys

(2013) Damir Simic et al.   GENE EXPRESSION

Review: Toxicometabolomics

(2013) Mounir Bouhifd et al.   JOURNAL OF APPLIED TOXICOLOGY

Target identification and mechanism of action in chemical biology and drug discovery

(2013) Monica Schenone et al.   Nature Chemical Biology

STITCH 4: integration of protein–chemical interactions with user data

(2013) Michael Kuhn et al.   NUCLEIC ACIDS RESEARCH

Lenalidomide Causes Selective Degradation of IKZF1 and IKZF3 in Multiple Myeloma Cells

(2013) J. Kronke et al.   SCIENCE

Genetic Screens in Human Cells Using the CRISPR-Cas9 System

(2013) Tim Wang et al.   SCIENCE

In Vitro Perfused Human Capillary Networks

(2013) Monica L. Moya et al.   TISSUE ENGINEERING PART C-METHODS

Comparison of Microarrays and RNA-Seq for Gene Expression Analyses of Dose-Response Experiments

(2013) Michael B. Black et al.   TOXICOLOGICAL SCIENCES

Toxicogenomics-Based Identification of Mechanisms for Direct Immunotoxicity

(2013) Jia Shao et al.   TOXICOLOGICAL SCIENCES

The adverse outcome pathway concept: A pragmatic tool in toxicology

(2013) Mathieu Vinken   TOXICOLOGY

A Drug Repositioning Approach Identifies Tricyclic Antidepressants as Inhibitors of Small Cell Lung Cancer and Other Neuroendocrine Tumors

(2013) N. S. Jahchan et al.   Cancer Discovery

An integrated in vitro model of perfused tumor and cardiac tissue

(2013) Monica Moya et al.   Stem Cell Research & Therapy

Organotypic liver culture models: Meeting current challenges in toxicity testing

(2012) Edward L. LeCluyse et al.   CRITICAL REVIEWS IN TOXICOLOGY

Strategies to minimize CNS toxicity:in vitrohigh-throughput assays and computational modeling

(2012) Travis T Wager et al.   Expert Opinion on Drug Metabolism & Toxicology

Integrative Analyses for Omics Data: A Bayesian Mixture Model to Assess the Concordance of ChIP-chip and ChIP-seq Measurements

(2012) Martin Schäfer et al.   JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES

Yeast “N”-hybrid systems for protein–protein and drug–protein interaction discovery

(2012) Mandana Rezwan et al.   METHODS

Thermodynamic analysis of protein-ligand binding interactions in complex biological mixtures using the stability of proteins from rates of oxidation

(2012) Erin C Strickland et al.   Nature Protocols

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

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

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

Metabolomics

(2012) Jessica E. Montanez et al.   TOXICOLOGIC PATHOLOGY

RNA-Seq Provides New Insights in the Transcriptome Responses Induced by the Carcinogen Benzo[a]pyrene

(2012) J. van Delft et al.   TOXICOLOGICAL SCIENCES

A Comprehensive Statistical Analysis of Predicting In Vivo Hazard Using High-Throughput In Vitro Screening

(2012) Russell S. Thomas et al.   TOXICOLOGICAL SCIENCES

Rational Methods for the Selection of Diverse Screening Compounds

(2011) David J. Huggins et al.   ACS Chemical Biology

Thermodynamic Analysis of Protein–Ligand Interactions in Complex Biological Mixtures using a Shotgun Proteomics Approach

(2011) Patrick D. DeArmond et al.   JOURNAL OF PROTEOME RESEARCH

How Does a Drug Molecule Find Its Target Binding Site?

(2011) Yibing Shan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pocketome: an encyclopedia of small-molecule binding sites in 4D

(2011) Irina Kufareva et al.   NUCLEIC ACIDS RESEARCH

Utilizing toxicogenomic data to understand chemical mechanism of action in risk assessment

(2011) Vickie S. Wilson et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

N-vinylpyrrolidone dimer, a novel formulation excipient, causes hepatic and thyroid hypertrophy through the induction of hepatic microsomal enzymes in rats

(2011) Yi Yang et al.   TOXICOLOGY LETTERS

Toxicogenomic analysis of exposure to TCDD, PCB126 and PCB153: identification of genomic biomarkers of exposure to AhR ligands

(2010) Bladimir J Ovando et al.   BMC GENOMICS

Synthesis of S-Adenosyl-L-homocysteine Capture Compounds for Selective Photoinduced Isolation of Methyltransferases

(2010) Christian Dalhoff et al.   CHEMBIOCHEM

The future of toxicity testing: a focus on in vitro methods using a quantitative high-throughput screening platform

(2010) Sunita J. Shukla et al.   DRUG DISCOVERY TODAY

ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics

(2010) M. Stuart Armstrong et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel μM Leads for the Development of nM BACE-1 (β-Site APP Cleaving Enzyme 1) Inhibitors

(2010) Yu-Sen Wang et al.   JOURNAL OF MEDICINAL CHEMISTRY

State-of-the-art genomics approaches in toxicology

(2010) Paul Van Hummelen et al.   MUTATION RESEARCH-REVIEWS IN MUTATION RESEARCH

PROMISCUOUS: a database for network-based drug-repositioning

(2010) J. von Eichborn et al.   NUCLEIC ACIDS RESEARCH

An evaluation of hERG current assay performance: Translating preclinical safety studies to clinical QT prolongation

(2010) Gary Gintant   PHARMACOLOGY & THERAPEUTICS

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

Metabolomics in Toxicology: Preclinical and Clinical Applications

(2010) D. G. Robertson et al.   TOXICOLOGICAL SCIENCES

Toxicoproteomics: New paradigms in toxicology research

(2010) Jasmine George et al.   TOXICOLOGY MECHANISMS AND METHODS

High content screening: seeing is believing

(2010) Fabian Zanella et al.   TRENDS IN BIOTECHNOLOGY

Alcoholic liver disease and the gut-liver axis

(2010) Gyongyi Szabo   WORLD JOURNAL OF GASTROENTEROLOGY

Characterization of a gastrointestinal tract microscale cell culture analog used to predict drug toxicity

(2009) Gretchen J. Mahler et al.   BIOTECHNOLOGY AND BIOENGINEERING

A Thermodynamic Approach to the Affinity Optimization of Drug Candidates

(2009) Ernesto Freire   Chemical Biology & Drug Design

Serum Metabolomics Reveals Irreversible Inhibition of Fatty Acid β-Oxidation through the Suppression of PPARα Activation as a Contributing Mechanism of Acetaminophen-Induced Hepatotoxicity

(2009) Chi Chen et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Identification of genes involved in gentamicin-induced nephrotoxicity in rats – A toxicogenomic investigation

(2009) N. Ozaki et al.   EXPERIMENTAL AND TOXICOLOGIC PATHOLOGY

Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation

(2009) Ajay N. Jain   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Design of compound libraries for fragment screening

(2009) Niklas Blomberg et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Comprehensive Identification of Staurosporine-Binding Kinases in the Hepatocyte Cell Line HepG2 using Capture Compound Mass Spectrometry (CCMS)

(2009) Jenny J. Fischer et al.   JOURNAL OF PROTEOME RESEARCH

GDP-Capture Compound — A novel tool for the profiling of GTPases in pro- and eukaryotes by capture compound mass spectrometry (CCMS)

(2009) Yan Luo et al.   Journal of Proteomics

A comprehensive target selectivity survey of the BCR-ABL kinase inhibitor INNO-406 by kinase profiling and chemical proteomics in chronic myeloid leukemia cells

(2009) U Rix et al.   LEUKEMIA

Integrating multiple 'omics' analysis for microbial biology: application and methodologies

(2009) W. Zhang et al.   MICROBIOLOGY-SGM

The cAMP Capture Compound Mass Spectrometry as a Novel Tool for Targeting cAMP-binding Proteins

(2009) Yan Luo et al.   MOLECULAR & CELLULAR PROTEOMICS

Structure and organization of drug-target networks: insights from genomic approaches for drug discovery

(2009) Sarath Chandra Janga et al.   Molecular BioSystems

Target profiling of small molecules by chemical proteomics

(2009) Uwe Rix et al.   Nature Chemical Biology

Lessons from 60 years of pharmaceutical innovation

(2009) Bernard Munos   NATURE REVIEWS DRUG DISCOVERY

SePreSA: a server for the prediction of populations susceptible to serious adverse drug reactions implementing the methodology of a chemical–protein interactome

(2009) Lun Yang et al.   NUCLEIC ACIDS RESEARCH

Target identification using drug affinity responsive target stability (DARTS)

(2009) B. Lomenick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Untargeted Metabolomic Profiling as an Evaluative Tool of Fenofibrate-Induced Toxicology in Fischer 344 Male Rats

(2009) Tetsuya Ohta et al.   TOXICOLOGIC PATHOLOGY

Capture Compound Mass Spectrometry Sheds Light on the Molecular Mechanisms of Liver Toxicity of Two Parkinson Drugs

(2009) Jenny J. Fischer et al.   TOXICOLOGICAL SCIENCES

Conciliating binding efficiency and polypharmacology

(2009) Jordi Mestres et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

A Ligand-Based Approach to Mining the Chemogenomic Space of Drugs

(2008) Elisabet Gregori-Puigjane et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Systems biology and functional genomics approaches for the identification of cellular responses to drug toxicity

(2008) Alison Hege Harrill et al.   Expert Opinion on Drug Metabolism & Toxicology

Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping

(2008) Steven W. Muchmore et al.   Journal of Chemical Information and Modeling

Gene Expression Profiles in Livers from Diclofenac-Treated Rats Reveal Intestinal Bacteria-Dependent and -Independent Pathways Associated with Liver Injury

(2008) X. Deng et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

SuperToxic: a comprehensive database of toxic compounds

(2008) U. Schmidt et al.   NUCLEIC ACIDS RESEARCH

Toxicity Testing in the 21st Century: Implications for Human Health Risk Assessment

(2008) Robert J. Kavlock et al.   RISK ANALYSIS

Dose- and time-dependent effects of phenobarbital on gene expression profiling in human hepatoma HepaRG cells

(2008) Carine B. Lambert et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Pathway analysis tools and toxicogenomics reference databases for risk assessment

(2007) Brigitte Ganter et al.   PHARMACOGENOMICS