Exploring new targets and chemical space with affinity selection-mass spectrometry

Revolution of Small Molecule Drug Discovery by Affinity Selection-Mass Spectrometry Technology

(2020) Takashi Motoyaji   CHEMICAL & PHARMACEUTICAL BULLETIN

A Novel G Protein-Biased and Subtype-Selective Agonist for a G Protein-Coupled Receptor Discovered from Screening Herbal Extracts

(2020) Bingjie Zhang et al.   ACS Central Science

Ultra-large chemical libraries for the discovery of high-affinity peptide binders

(2020) Anthony J. Quartararo et al.   Nature Communications

Rapid Prediction of Electron–Ionization Mass Spectrometry Using Neural Networks

(2019) Jennifer N. Wei et al.   ACS Central Science

Accelerating the Throughput of Affinity Mass Spectrometry-Based Ligand Screening towards a G Protein-Coupled Receptor

(2019) Yan Lu et al.   ANALYTICAL CHEMISTRY

LABEL‐FREE BIO‐AFFINITY MASS SPECTROMETRY FOR SCREENING AND LOCATING BIOACTIVE MOLECULES

(2019) Yi Tao et al.   MASS SPECTROMETRY REVIEWS

A Library Screening Strategy Combining the Concepts of MS Binding Assays and Affinity Selection Mass Spectrometry

(2019) Jürgen Gabriel et al.   Frontiers in Chemistry

The METLIN small molecule dataset for machine learning-based retention time prediction

(2019) Xavier Domingo-Almenara et al.   Nature Communications

Discovery of Selective RNA-Binding Small Molecules by Affinity-Selection Mass Spectrometry

(2018) Noreen F. Rizvi et al.   ACS Chemical Biology

High-Throughput Assessment of Structural Continuity in Biologics

(2018) Caterina Musetti et al.   ANALYTICAL CHEMISTRY

Chemistry-First Approach for Nomination of Personalized Treatment in Lung Cancer

(2018) Elizabeth A. McMillan et al.   CELL

Inhibitors of protein–protein interactions (PPIs): an analysis of scaffold choices and buried surface area

(2018) Xu Ran et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

High-throughput identification of G protein-coupled receptor modulators through affinity mass spectrometry screening

(2018) Shanshan Qin et al.   Chemical Science

Enabling STD-NMR fragment screening using stabilized native GPCR: A case study of adenosine receptor

(2018) Sébastien Igonet et al.   Scientific Reports

Nanoscale synthesis and affinity ranking

(2018) Nathan J. Gesmundo et al.   NATURE

Expanding the medicinal chemistry synthetic toolbox

(2018) Jonas Boström et al.   NATURE REVIEWS DRUG DISCOVERY

Rapid screening and identification of bioactive compounds specifically binding to beta 2-adrenoceptor from San-ao decoction using affinity magnetic fine particles coupled with high-performance liquid chromatography–mass spectrometry

(2018) Fuhuan Fei et al.   Chinese Medicine

A Chemical Biology View of Bioactive Small Molecules and a Binder-Based Approach to Connect Biology to Precision Medicines

(2018) Stuart L. Schreiber   ISRAEL JOURNAL OF CHEMISTRY

Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING

(2018) Tony Siu et al.   ACS Medicinal Chemistry Letters

Acoustic dispensing-mass spectrometry: the next high throughput bioanalytical platform for early drug discovery

(2017) Hui Zhang   Bioanalysis

Small-Molecule PROTACS: New Approaches to Protein Degradation

(2016) Momar Toure et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Why and how have drug discovery strategies in pharma changed? What are the new mindsets?

(2016) Serge Mignani et al.   DRUG DISCOVERY TODAY

Definitive Metabolite Identification Coupled with Automated Ligand Identification System (ALIS) Technology: A Novel Approach to Uncover Structure–Activity Relationships and Guide Drug Design in a Factor IXa Inhibitor Program

(2016) Ting Zhang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Magnetic Microbead Affinity Selection Screening (MagMASS) of Botanical Extracts for Inhibitors of 15-Lipoxygenase

(2016) Michael D. Rush et al.   JOURNAL OF NATURAL PRODUCTS

Development of a Magnetic Microbead Affinity Selection Screen (MagMASS) Using Mass Spectrometry for Ligands to the Retinoid X Receptor-α

(2016) Michael D. Rush et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Non-coding RNAs as drug targets

(2016) Masayuki Matsui et al.   NATURE REVIEWS DRUG DISCOVERY

Twenty years on: the impact of fragments on drug discovery

(2016) Daniel A. Erlanson et al.   NATURE REVIEWS DRUG DISCOVERY

Structural characterization of nonactive site, TrkA-selective kinase inhibitors

(2016) Hua-Poo Su et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Novel Chemical Ligands to Ebola Virus and Marburg Virus Nucleoproteins Identified by Combining Affinity Mass Spectrometry and Metabolomics Approaches

(2016) Xu Fu et al.   Scientific Reports

Imbalance in chemical space: How to facilitate the identification of protein-protein interaction inhibitors

(2016) Mélaine A. Kuenemann et al.   Scientific Reports

Multiple ligand detection and affinity measurement by ultrafiltration and mass spectrometry analysis applied to fragment mixture screening

(2015) Shanshan Qin et al.   ANALYTICA CHIMICA ACTA

Innovative approaches to the design and synthesis of small molecule libraries

(2015) Adam Nelson et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Development of a mitochondria-based centrifugal ultrafiltration/liquid chromatography/mass spectrometry method for screening mitochondria-targeted bioactive constituents from complex matrixes: Herbal medicines as a case study

(2015) Xing-Xin Yang et al.   JOURNAL OF CHROMATOGRAPHY A

How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets

(2015) Bradley C. Doak et al.   JOURNAL OF MEDICINAL CHEMISTRY

Selective small-molecule inhibition of an RNA structural element

(2015) John A. Howe et al.   NATURE

A Ligand-observed Mass Spectrometry Approach Integrated into the Fragment Based Lead Discovery Pipeline

(2015) Xin Chen et al.   Scientific Reports

Affinity selection-based two-dimensional chromatography coupled with high-performance liquid chromatography-mass spectrometry for discovering xanthine oxidase inhibitors from Radix Salviae Miltiorrhizae

(2014) Yu Fu et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Identification of Inhibitors of the Antibiotic-Resistance Target New Delhi Metallo-β-lactamase 1 by both Nanoelectrospray Ionization Mass Spectrometry and Ultrafiltration Liquid Chromatography/Mass Spectrometry Approaches

(2013) Xin Chen et al.   ANALYTICAL CHEMISTRY

Application of Affinity Selection-Mass Spectrometry Assays to Purification and Affinity-Based Screening of the Chemokine Receptor CXCR4

(2012) Charles E. Whitehurst et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Yin and Yang in medicinal chemistry: what does drug-likeness mean?

(2011) Ricardo Macarrón et al.   Future Medicinal Chemistry

Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases

(2010) Kenneth M. Comess et al.   ACS Chemical Biology

Affinity-based screening techniques: their impact and benefit to increase the number of high quality leads

(2010) Christian Bergsdorf et al.   Expert Opinion on Drug Discovery

Retooling chemical probes

(2010)   Nature Chemical Biology

Synthesis of Natural Product Inspired Compound Collections

(2009) Kamal Kumar et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Inhibition of protein–protein interactions using designed molecules

(2009) Andrew J. Wilson   CHEMICAL SOCIETY REVIEWS

Inhibitors of the Lipid Phosphatase SHIP2 Discovered by High Throughput Affinity Selection-Mass Spectrometry Screening of Combinatorial Libraries

(2009) D. Annis et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success

(2009) Frank Lovering et al.   JOURNAL OF MEDICINAL CHEMISTRY

Quantitative Analyses of Aggregation, Autofluorescence, and Reactivity Artifacts in a Screen for Inhibitors of a Thiol Protease

(2009) Ajit Jadhav et al.   JOURNAL OF MEDICINAL CHEMISTRY