Fragment-based drug discovery using NMR spectroscopy

HTS by NMR of Combinatorial Libraries: A Fragment-Based Approach to Ligand Discovery

(2013) Bainan Wu et al.   CHEMISTRY & BIOLOGY

Fragment Growing and Linking Lead to Novel Nanomolar Lactate Dehydrogenase Inhibitors

(2013) Anna Kohlmann et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation

(2012) Qi Sun et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Discovery of Potent Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods and Structure-Based Design

(2012) Anders Friberg et al.   JOURNAL OF MEDICINAL CHEMISTRY

INPHARMA-based identification of ligand binding site in fragment-based drug design

(2012) Isabelle Krimm   MedChemComm

Fragment-Based Drug Design: Computational and Experimental State of the Art

(2011) Laurent Hoffer et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

SAR by Interligand Nuclear Overhauser Effects (ILOEs) Based Discovery of Acylsulfonamide Compounds Active against Bcl-xLand Mcl-1

(2011) Michele F. Rega et al.   JOURNAL OF MEDICINAL CHEMISTRY

Compound Design by Fragment-Linking

(2011) Osamu Ichihara et al.   Molecular Informatics

Structural biology in fragment-based drug design

(2010) Christopher W Murray et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

NMR Screening and Hit Validation in Fragment Based Drug Discovery

(2010) Ramon Campos-Olivas   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Observations on screening-based research and some concerning trends in the literature

(2010) Jonathan B Baell   Future Medicinal Chemistry

Entropic Contribution to the Linking Coefficient in Fragment Based Drug Design: A Case Study

(2010) Valentina Borsi et al.   JOURNAL OF MEDICINAL CHEMISTRY

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

(2010) Jonathan B. Baell et al.   JOURNAL OF MEDICINAL CHEMISTRY

Optimization of the Interligand Overhauser Effect for Fragment Linking: Application to Inhibitor Discovery againstMycobacterium tuberculosisPantothenate Synthetase

(2010) Pawel Sledz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma

(2010) Gideon Bollag et al.   NATURE

Auto-FACE: An NMR Based Binding Site Mapping Program for Fast Chemical Exchange Protein-Ligand Systems

(2010) Janarthanan Krishnamoorthy et al.   PLoS One

Ranking of High-Affinity Ligands by NMR Spectroscopy

(2009) Xiaolu Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Application of Fragment Growing and Fragment Linking to the Discovery of Inhibitors ofMycobacterium tuberculosisPantothenate Synthetase

(2009) Alvin W. Hung et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recent Advances in Solution NMR: Fast Methods and Heteronuclear Direct Detection

(2009) Isabella C. Felli et al.   CHEMPHYSCHEM

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

Ligand based NMR methods for drug discovery

(2009) Christian Ludwig   Frontiers in Bioscience-Landmark

Guidelines for the use of band-selective radiofrequency pulses in hetero-nuclear NMR: Example of longitudinal-relaxation-enhanced BEST-type 1H–15N correlation experiments

(2009) Ewen Lescop et al.   JOURNAL OF MAGNETIC RESONANCE

Impact of linker strain and flexibility in the design of a fragment-based inhibitor

(2009) Suhman Chung et al.   Nature Chemical Biology

Phosphorus NMR Spectroscopy as a Versatile Tool for Compound Library Screening

(2008) Florian Manzenrieder et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Automated structure determination from NMR spectra

(2008) Peter Güntert   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Development of Paramagnetic Probes for Molecular Recognition Studies in Protein Kinases

(2008) Jesus Vazquez et al.   JOURNAL OF MEDICINAL CHEMISTRY

Determination of Protein–Ligand Binding Modes Using Complexation-Induced Changes in1H NMR Chemical Shift

(2008) Marina Cioffi et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

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

SALMON: Solvent Accessibility, Ligand binding, and Mapping of ligand Orientation by NMR Spectroscopy

(2007) Christian Ludwig et al.   JOURNAL OF MEDICINAL CHEMISTRY