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

Identification of a novel series of potent HCV NS5B Site I inhibitors

(2014) Kyle J. Eastman et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Nanoelectrospray Ionization Mass Spectrometric Study of Mycobacterium tuberculosis CYP121–Ligand Interactions

(2013) Katie M. Duffell et al.   ANALYTICAL 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

Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors

(2013) Timothy A. Stammers et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

From Small to Powerful: The Fragments Universe and its “Chem-Appeal”

(2013) Luca Sancineto et al.   CURRENT MEDICINAL CHEMISTRY

De Novo Fragment Design: A Medicinal Chemistry Approach to Fragment-Based Lead Generation

(2013) Francisco X. Talamas et al.   JOURNAL OF MEDICINAL CHEMISTRY

A three-stage biophysical screening cascade for fragment-based drug discovery

(2013) Ellene H Mashalidis et al.   Nature Protocols

Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery

(2013) H. L. Silvestre et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

An ultrafiltration high-performance liquid chromatography coupled with diode array detector and mass spectrometry approach for screening and characterising tyrosinase inhibitors from mulberry leaves

(2012) Zhenzhong Yang et al.   ANALYTICA CHIMICA ACTA

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

VAPC, an Human Endogenous Inhibitor for Hepatitis C Virus (HCV) Infection, Is Intrinsically Unstructured but Forms a “Fuzzy Complex” with HCV NS5B

(2012) Shaveta Goyal et al.   PLoS One

Development of liquid chromatography/mass spectrometry based screening assay forPfTrxR inhibitors using relative quantitation of intact thioredoxin

(2012) Ranjith Munigunti et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Overview of theCCP4 suite and current developments

(2011) Martyn D. Winn et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Ligand specificity, privileged substructures and protein druggability from fragment-based screening

(2011) Sarah Barelier et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Identification of a Novel Scaffold for Allosteric Inhibition of Wild Type and Drug Resistant HIV-1 Reverse Transcriptase by Fragment Library Screening

(2011) Matthis Geitmann et al.   JOURNAL OF MEDICINAL CHEMISTRY

Automated Protein–Ligand Interaction Screening by Mass Spectrometry

(2011) Hannah J. Maple et al.   JOURNAL OF MEDICINAL CHEMISTRY

Nucleoside, Nucleotide, and Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B RNA-Dependent RNA-Polymerase

(2011) Michael J. Sofia et al.   JOURNAL OF MEDICINAL CHEMISTRY

Screening of natural compounds for ligands to PfTrxR by ultrafiltration and LC–MS based binding assay

(2011) Ranjith Munigunti et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Screening and Determination for Potential α-Glucosidase Inhibitors from Leaves of Acanthopanax senticosus Harms by Using UF-LC/MS and ESI-MSn

(2011) Hui Zhou et al.   PHYTOCHEMICAL ANALYSIS

Algorithms for the automated selection of fragment-like molecules using single-point surface plasmon resonance measurements

(2010) Constantine Kreatsoulas et al.   ANALYTICAL BIOCHEMISTRY

Screening Natural Products for Inhibitors of Quinone Reductase-2 Using Ultrafiltration LC−MS

(2010) Yongsoo Choi et al.   ANALYTICAL CHEMISTRY

Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors

(2010) Nyssa Drinkwater et al.   BIOCHEMICAL JOURNAL

Higher throughput calorimetry: opportunities, approaches and challenges

(2010) Francisco E Torres et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Development of binding assays to screen ligands for Plasmodium falciparum thioredoxin and glutathione reductases by ultrafiltration and liquid chromatography/mass spectrometry

(2010) Vanisree Mulabagal et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

Ligand Specificity in Fragment-Based Drug Design

(2010) Sarah Barelier et al.   JOURNAL OF MEDICINAL CHEMISTRY

Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency

(2010) Christopher W. Murray et al.   JOURNAL OF MEDICINAL CHEMISTRY

Assessing compound binding to the Eg5 motor domain using a thermal shift assay

(2009) Patricia A. McDonnell et al.   ANALYTICAL BIOCHEMISTRY

NMR methods in fragment screening: theory and a comparison with other biophysical techniques

(2009) Claudio Dalvit   DRUG DISCOVERY TODAY

From fragment to clinical candidate—a historical perspective

(2009) Gianni Chessari et al.   DRUG DISCOVERY TODAY

Native MS: an ’ESI‚ way to support structure- and fragment-based drug discovery

(2009) Valerie Vivat Hannah et al.   Future Medicinal Chemistry

Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors

(2008) Stephen S. Antonysamy et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Perspectives on NMR in drug discovery: a technique comes of age

(2008) Maurizio Pellecchia et al.   NATURE REVIEWS DRUG DISCOVERY