4.6 Article

Data driven polypharmacological drug design for lung cancer: analyses for targeting ALK, MET, and EGFR

Related references

Note: Only part of the references are listed.
Article Biochemistry & Molecular Biology

PubChem Substance and Compound databases

Sunghwan Kim et al.

NUCLEIC ACIDS RESEARCH (2016)

Review Biochemistry & Molecular Biology

Molecular mechanisms that underpin EML4-ALK driven cancers and their response to targeted drugs

Richard Bayliss et al.

CELLULAR AND MOLECULAR LIFE SCIENCES (2016)

Review Pharmacology & Pharmacy

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

Antonio Lavecchia et al.

DRUG DISCOVERY TODAY (2016)

Meeting Abstract Oncology

Next generation ALK inhibitors and mechanisms of resistance to therapy

J. Gainor

ANNALS OF ONCOLOGY (2015)

Review Biochemistry & Molecular Biology

Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description

Francesca Spyrakis et al.

ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS (2015)

Article Biochemistry & Molecular Biology

The ABC of protein kinase conformations

Henrik Moebitz

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2015)

Article Biochemistry & Molecular Biology

Assessing protein kinase target similarity: Comparing sequence, structure, and cheminformatics approaches

Osman A. Gani et al.

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2015)

Article Biochemistry & Molecular Biology

Structure-based design and synthesis of covalent-reversible inhibitors to overcome drug resistance in EGFR

Debjit Basu et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2015)

Article Biochemistry & Molecular Biology

Kinase hinge binding scaffolds and their hydrogen bond patterns

Li Xing et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2015)

Article Chemistry, Medicinal

Current kinase inhibitors cover a tiny fraction of fragment space

Hongtao Zhao et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2015)

Article Oncology

A Functional Landscape of Resistance to ALK Inhibition in Lung Cancer

Frederick H. Wilson et al.

CANCER CELL (2015)

Article Biochemistry & Molecular Biology

Multi-Kinase Inhibitors

Laura Garuti et al.

CURRENT MEDICINAL CHEMISTRY (2015)

Review Pharmacology & Pharmacy

Extending kinome coverage by analysis of kinase inhibitor broad profiling data

Edgar Jacoby et al.

DRUG DISCOVERY TODAY (2015)

Review Pharmacology & Pharmacy

The opportunities of mining historical and collective data in drug discovery

Anne Mai Wassermann et al.

DRUG DISCOVERY TODAY (2015)

Article Chemistry, Medicinal

Open Source Bayesian Models. 2. Mining a Big Dataset To Create and Validate Models with ChEMBL

Alex M. Clark et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)

Review Oncology

Future options for ALK-positive non-small cell lung cancer

Daniela Iacono et al.

LUNG CANCER (2015)

Article Biochemistry & Molecular Biology

Low-Quality Structural and Interaction Data Improves Binding Affinity Prediction via Random Forest

Hongjian Li et al.

MOLECULES (2015)

Article Biochemistry & Molecular Biology

ChEMBL web services: streamlining access to drug discovery data and utilities

Mark Davies et al.

NUCLEIC ACIDS RESEARCH (2015)

Article Multidisciplinary Sciences

PF-06463922 is a potent and selective next-generation ROS1/ALK inhibitor capable of blocking crizotinib-resistant ROS1 mutations

Helen Y. Zou et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)

Review Pharmacology & Pharmacy

Beware of docking!

Yu-Chian Chen

TRENDS IN PHARMACOLOGICAL SCIENCES (2015)

Article Chemistry, Multidisciplinary

Target prediction utilising negative bioactivity data covering large chemical space

Lewis H. Mervin et al.

JOURNAL OF CHEMINFORMATICS (2015)

Review Oncology

Overcoming resistance to targeted therapies in NSCLC: current approaches and clinical application

Paolo Maione et al.

THERAPEUTIC ADVANCES IN MEDICAL ONCOLOGY (2015)

Article Chemistry, Medicinal

Exploring the Scaffold Universe of Kinase Inhibitors

Ye Hu et al.

JOURNAL OF MEDICINAL CHEMISTRY (2015)

Review Pharmacology & Pharmacy

Afatinib: A first-line treatment for selected patients with metastatic non-small-cell lung cancer

Jeff Engle et al.

AMERICAN JOURNAL OF HEALTH-SYSTEM PHARMACY (2014)

Article Pharmacology & Pharmacy

Targeting PI3K/AKT/mTOR pathway in non small cell lung cancer

Claudia Fumarola et al.

BIOCHEMICAL PHARMACOLOGY (2014)

Review Immunology

Protein kinase inhibitors in the treatment of inflammatory and autoimmune diseases

H. Patterson et al.

CLINICAL AND EXPERIMENTAL IMMUNOLOGY (2014)

Review Oncology

Targeting the MET gene for the treatment of non-small-cell lung cancer

F. Gelsomino et al.

CRITICAL REVIEWS IN ONCOLOGY HEMATOLOGY (2014)

Article Chemistry, Medicinal

Progress in the Analysis of Multiple Activity Profile of Screening Data Using Computational Approaches

Vicente F. Kuyoc-Carrillo et al.

DRUG DEVELOPMENT RESEARCH (2014)

Review Pharmacology & Pharmacy

Emerging protein kinase inhibitors for non-small cell lung cancer

Stephen V. Liu et al.

EXPERT OPINION ON EMERGING DRUGS (2014)

Review Pharmacology & Pharmacy

Protein kinase inhibitors to treat non-small-cell lung cancer

Gabriele Minuti et al.

EXPERT OPINION ON PHARMACOTHERAPY (2014)

Article Chemistry, Medicinal

Beware of Machine Learning-Based Scoring Functions-On the Danger of Developing Black Boxes

Joffrey Gabel et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)

Article Biochemistry & Molecular Biology

Scaffold mining of kinase hinge binders in crystal structure database

Li Xing et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2014)

Article Biochemistry & Molecular Biology

PubChem BioAssay: 2014 update

Yanli Wang et al.

NUCLEIC ACIDS RESEARCH (2014)

Review Pharmacology & Pharmacy

Advances in kinase targeting: current clinical use and clinical trials

Mathias Rask-Andersen et al.

TRENDS IN PHARMACOLOGICAL SCIENCES (2014)

Article Chemistry, Medicinal

Discovery and Biological Evaluation of Novel Dual EGFR/c-Met Inhibitors

Balint Szokol et al.

ACS MEDICINAL CHEMISTRY LETTERS (2014)

Article Oncology

Management of tyrosine kinase inhibitor resistance in lung cancer with EGFR mutation

Kevin Becker et al.

WORLD JOURNAL OF CLINICAL ONCOLOGY (2014)

Review Oncology

Review of the current targeted therapies for non-small-cell lung cancer

Kim-Son H. Nguyen et al.

WORLD JOURNAL OF CLINICAL ONCOLOGY (2014)

Review Medicine, Research & Experimental

Resistant mutations in CML and Ph+ALL - role of ponatinib

Geoffrey D. Miller et al.

BIOLOGICS-TARGETS & THERAPY (2014)

Article Biochemical Research Methods

Combined Analysis of Phenotypic and Target-Based Screening in Assay Networks

S. Joshua Swamidass et al.

JOURNAL OF BIOMOLECULAR SCREENING (2014)

Review Oncology

Non-small-cell lung cancers: a heterogeneous set of diseases

Zhao Chen et al.

NATURE REVIEWS CANCER (2014)

Article Biochemistry & Molecular Biology

De Novo Design of Protein Kinase Inhibitors by in Silico Identification of Hinge Region-Binding Fragments

Robert Urich et al.

ACS CHEMICAL BIOLOGY (2013)

Article Biochemistry & Molecular Biology

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

Yinghong Gao et al.

BIOCHEMICAL JOURNAL (2013)

Review Biochemistry & Molecular Biology

What general conclusions can we draw from kinase profiling data sets?

Jeffrey J. Sutherland et al.

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2013)

Article Biochemistry & Molecular Biology

Synthesis and biological evaluation of 2-amino-5-aryl-3-benzylthiopyridine scaffold based potent c-Met inhibitors

Dengyou Zhang et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2013)

Article Biochemistry & Molecular Biology

Evaluating the Predictivity of Virtual Screening for Abl Kinase Inhibitors to Hinder Drug Resistance

Osman A. B. S. M. Gani et al.

CHEMICAL BIOLOGY & DRUG DESIGN (2013)

Review Biochemistry & Molecular Biology

Developing Irreversible Inhibitors of the Protein Kinase Cysteinome

Qingsong Liu et al.

CHEMISTRY & BIOLOGY (2013)

Review Pharmacology & Pharmacy

Epidermal Growth Factor Receptor: Pathway, Therapies, and Pipeline

John R. Goffin et al.

CLINICAL THERAPEUTICS (2013)

Review Chemistry, Medicinal

p38 Mitogen-Activated Protein Kinase Inhibitors: A Review on Pharmacophore Mapping and QSAR Studies

Rahul P. Gangwal et al.

CURRENT TOPICS IN MEDICINAL CHEMISTRY (2013)

Review Pharmacology & Pharmacy

Shifting from the single to the multitarget paradigm in drug discovery

Jose L. Medina-Franco et al.

DRUG DISCOVERY TODAY (2013)

Article Chemistry, Medicinal

Selectivity Data: Assessment, Predictions, Concordance, and Implications

Cen Gao et al.

JOURNAL OF MEDICINAL CHEMISTRY (2013)

Review Oncology

Mechanistic insight into ALK receptor tyrosine kinase in human cancer biology

Bengt Hallberg et al.

NATURE REVIEWS CANCER (2013)

Review Biochemistry & Molecular Biology

Structural origins of AGC protein kinase inhibitor selectivities: PKA as a drug discovery tool

Espen Aberg et al.

BIOLOGICAL CHEMISTRY (2012)

Article Biochemistry & Molecular Biology

Discovery of novel 2-aminopyridine-3-carboxamides as c-Met kinase inhibitors

Dengyou Zhang et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2012)

Article Biochemical Research Methods

A Comparative Assessment of Ranking Accuracies of Conventional and Machine-Learning-Based Scoring Functions for Protein-Ligand Binding Affinity Prediction

Hossam M. Ashtawy et al.

IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS (2012)

Article Multidisciplinary Sciences

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

Arvin C. Dar et al.

NATURE (2012)

Article Chemistry, Medicinal

Synthesis of an aryloxy oxo pyrimidinone library that displays ALK-selective inhibition

P. Jake Slavish et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2011)

Review Biochemistry & Molecular Biology

Irreversible Protein Kinase Inhibitors

L. Garuti et al.

CURRENT MEDICINAL CHEMISTRY (2011)

Article Chemistry, Medicinal

Combined SVM-based and docking-based virtual screening for retrieving novel inhibitors of c-Met

Qing-Qing Xie et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2011)

Article Chemistry, Medicinal

Trends in Kinase Selectivity Insights for Target Class-Focused Library Screening

Shana L. Posy et al.

JOURNAL OF MEDICINAL CHEMISTRY (2011)

Article Biotechnology & Applied Microbiology

Comprehensive analysis of kinase inhibitor selectivity

Mindy I. Davis et al.

NATURE BIOTECHNOLOGY (2011)

Article Biochemistry & Molecular Biology

Navigating the kinome

James T. Metz et al.

NATURE CHEMICAL BIOLOGY (2011)

Article Cell Biology

Genotypic and Histological Evolution of Lung Cancers Acquiring Resistance to EGFR Inhibitors

Lecia V. Sequist et al.

SCIENCE TRANSLATIONAL MEDICINE (2011)

Article Chemistry, Medicinal

Discovery of 3,5-Diamino-1,2,4-triazole Ureas as Potent Anaplastic Lymphoma Kinase Inhibitors

Xianming Deng et al.

ACS MEDICINAL CHEMISTRY LETTERS (2011)

Article Biochemistry & Molecular Biology

Structure-guided expansion of kinase fragment libraries driven by support vector machine models

Jon A. Erickson et al.

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2010)

Article Chemistry, Medicinal

Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors

Hiroki Nishii et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2010)

Article Biochemistry & Molecular Biology

Activation State-Dependent Binding of Small Molecule Kinase Inhibitors: Structural Insights from Biochemistry

Lisa M. Wodicka et al.

CHEMISTRY & BIOLOGY (2010)

Article Chemistry, Medicinal

Predicting Polypharmacology by Binding Site Similarity: From Kinases to the Protein Universe

Francesca Milletti et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)

Review Chemistry, Medicinal

Selectively Nonselective Kinase Inhibition: Striking the Right Balance

Richard Morphy

JOURNAL OF MEDICINAL CHEMISTRY (2010)

Article Multidisciplinary Sciences

Novel mutant-selective EGFR kinase inhibitors against EGFR T790M

Wenjun Zhou et al.

NATURE (2009)

Review Oncology

Targeting cancer with small molecule kinase inhibitors

Jianming Zhang et al.

NATURE REVIEWS CANCER (2009)

Article Chemistry, Medicinal

Assessment of Chemical Coverage of Kinome Space and Its Implications for Kinase Drug Discovery

Paul Bamborough et al.

JOURNAL OF MEDICINAL CHEMISTRY (2008)

Article Chemistry, Medicinal

Kinase-likeness and kinase-privileged fragments: Toward virtual polypharmacology

Alex M. Aronov et al.

JOURNAL OF MEDICINAL CHEMISTRY (2008)

Article Chemistry, Medicinal

Design, synthesis, and biological evaluation of potent c-Met inhibitors

Noel D. D'Angelo et al.

JOURNAL OF MEDICINAL CHEMISTRY (2008)

Article Biochemistry & Molecular Biology

Activation of tyrosine kinases by mutation of the gatekeeper threonine

Mohammad Azam et al.

NATURE STRUCTURAL & MOLECULAR BIOLOGY (2008)

Article Biotechnology & Applied Microbiology

Quantitative chemical proteomics reveals mechanisms of action of clinical ABL kinase inhibitors

Marcus Bantscheff et al.

NATURE BIOTECHNOLOGY (2007)

Review Medicine, Research & Experimental

Treatment for chronic myelogenous leukemia: the long road to imatinib

Tony Hunter

JOURNAL OF CLINICAL INVESTIGATION (2007)

Article Cell Biology

Receptor tyrosine kinases: mechanisms of activation and signaling

Stevan R. Hubbard et al.

CURRENT OPINION IN CELL BIOLOGY (2007)

Article Biochemistry & Molecular Biology

Structure and chemical inhibition of the RET tyrosine kinase domain

Phillip P. Knowles et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2006)

Article Biotechnology & Applied Microbiology

A small molecule-kinase interaction map for clinical kinase inhibitors

MA Fabian et al.

NATURE BIOTECHNOLOGY (2005)

Article Biochemistry & Molecular Biology

Structural basis for p38α MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity

CE Fitzgerald et al.

NATURE STRUCTURAL BIOLOGY (2003)

Article Multidisciplinary Sciences

The protein kinase complement of the human genome

G Manning et al.

SCIENCE (2002)

Article Automation & Control Systems

PLS-regression:: a basic tool of chemometrics

S Wold et al.

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2001)

Article Biochemistry & Molecular Biology

The Protein Data Bank

HM Berman et al.

NUCLEIC ACIDS RESEARCH (2000)