相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。KLIFS: an overhaul after the first 5 years of supporting kinase research
Georgi K. Kanev et al.
NUCLEIC ACIDS RESEARCH (2021)
Escape from planarity in fragment-based drug discovery: A physicochemical and 3D property analysis of synthetic 3D fragment libraries
David J. Hamilton et al.
Drug Discovery Today: Technologies (2021)
Fragment-Based Identification of Ligands for Bromodomain-Containing Factor 3 of Trypanosoma cruzi
Corentine M. C. Laurin et al.
ACS INFECTIOUS DISEASES (2021)
Fragment-based drug design facilitates selective kinase inhibitor
Zhi-Zheng Wang et al.
TRENDS IN PHARMACOLOGICAL SCIENCES (2021)
Trends in kinase drug discovery: targets, indications and inhibitor design
Misty M. Attwood et al.
NATURE REVIEWS DRUG DISCOVERY (2021)
C-H functionalisation tolerant to polar groups could transform fragment-based drug discovery (FBDD)
Gianni Chessari et al.
CHEMICAL SCIENCE (2021)
Fragment-based drug discovery: opportunities for organic synthesis
Jeffrey D. St Denis et al.
RSC MEDICINAL CHEMISTRY (2021)
Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence
Michael Zender et al.
CHEMMEDCHEM (2020)
The 3F Library: Fluorinated Fsp3-Rich Fragments for Expeditious 19F NMR Based Screening
Nikolaj S. Troelsen et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
Fragments: where are we now?
James Osborne et al.
BIOCHEMICAL SOCIETY TRANSACTIONS (2020)
Fragment-based drug discovery using cryo-EM
Michael Saur et al.
DRUG DISCOVERY TODAY (2020)
Discovery of Potent, Reversible, and Competitive Cruzain Inhibitors with Trypanocidal Activity: A Structure-Based Drug Design Approach
Mariana L. de Souza et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
FragPELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-To-Lead Drug Design
Carles Perez et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Developing Inhibitors of the p47phox-p22phox Protein-Protein Interaction by Fragment-Based Drug Discovery
Sara Marie Oie Solbak et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Fragment-to-Lead Medicinal Chemistry Publications in 2018
Daniel A. Erlanson et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2
Jacek Kwiatkowski et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening
Christopher R. Wellaway et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer
Emily J. Faivre et al.
NATURE (2020)
Introducing the CSP Analyzer: A novel Machine Learning-based application for automated analysis of two-dimensional NMR spectra in NMR fragment-based screening
R. Fino et al.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (2020)
Covalent-Fragment Screening of BRD4 Identifies a Ligandable Site Orthogonal to the Acetyl-Lysine Binding Sites
Michael D. Olp et al.
ACS CHEMICAL BIOLOGY (2020)
Miniaturized weak affinity chromatography for ligand identification of nanodiscs-embedded G-protein coupled receptors
Lucile Lecas et al.
ANALYTICA CHIMICA ACTA (2020)
Comprehensive and High-Throughput Exploration of Chemical Space Using Broadband19F NMR-Based Screening
Andreas Lingel et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
Target-Directed Azide-Alkyne Cycloaddition for Assembling HIV-1 TAR RNA Binding Ligands
Rakesh Paul et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
A novel potent metal-binding NDM-1 inhibitor was identified by fragment virtual, SPR and NMR screening
Huifang Guo et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2020)
Design and Synthesis of 56 Shape-Diverse 3D Fragments
Thomas D. Downes et al.
CHEMISTRY-A EUROPEAN JOURNAL (2020)
Covalent fragment libraries in drug discovery
Aaron Keeley et al.
DRUG DISCOVERY TODAY (2020)
Discovery of the first Mycobacterium tuberculosis MabA (FabG1) inhibitors through a fragment-based screening
Leo Faion et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2020)
Targeting a critical step in fungal hexosamine biosynthesis
Deborah E. A. Lockhart et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2020)
Deep Generative Models for 3D Linker Design
Fergus Imrie et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation
Haixia Su et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Discovery of 8-Methyl-pyrrolo[1,2-a]pyrazin-1(2H)-one Derivatives as Highly Potent and Selective Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitors
Zizhou Li et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design
Selena Chacon Simon et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Fragment-Based Design of Mycobacterium tuberculosis InhA Inhibitors
Mohamad Sabbah et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity
Bettina Borreschmidt Hansen et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach
Fubao Huang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase
Lena Hefke et al.
ACS MEDICINAL CHEMISTRY LETTERS (2020)
Biophysical Screens Identify Fragments That Bind to the Viral DNA-Binding Proteins EBNA1 and LANA
Troy E. Messick et al.
MOLECULES (2020)
Pharmaceutical modulation of the proteolytic profile of Transforming Growth Factor Beta induced protein (TGFBIp) offers a new avenue for treatment of TGFBI-corneal dystrophy
Anandalakshmi Venkatraman et al.
JOURNAL OF ADVANCED RESEARCH (2020)
Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation
Fumihito Ushiyama et al.
ACS OMEGA (2020)
Efficient Synthesis of 1,4-Thiazepanones and 1,4-Thiazepanes as 3D Fragments for Screening Libraries
Anil K. Pandey et al.
ORGANIC LETTERS (2020)
Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase
Lena Munzker et al.
CHEMBIOCHEM (2020)
A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands
Emma K. Grant et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
Design, synthesis and biological activity of novel substituted 3-benzoic acid derivatives as MtDHFR inhibitors
Thales Kronenberger et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2020)
Design and synthesis of 1H-indazole-3-carboxamide derivatives as potent and selective PAK1 inhibitors with anti-tumour migration and invasion activities
Mingliang Zhang et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2020)
FragMAX: the fragment-screening platform at the MAX IV Laboratory
Gustavo M. A. Lima et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2020)
CcpNmr AnalysisScreen, a new software programme with dedicated automated analysis tools for fragment-based drug discovery by NMR
Luca G. Mureddu et al.
JOURNAL OF BIOMOLECULAR NMR (2020)
Visualizing drug binding interactions using microcrystal electron diffraction
Max T. B. Clabbers et al.
COMMUNICATIONS BIOLOGY (2020)
Fragment Linking Strategies for Structure-Based Drug Design
Alexandre Bancet et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT
Engi Hassaan et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Fragment-based Differential Targeting of PPI Stabilizer Interfaces
Xavier Guillory et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLx)
Matthew R. Bentley et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Discovery of 4,6-and 5,7-Disubstituted Isoquinoline Derivatives as a Novel Class of Protein Kinase C ζ Inhibitors with Fragment-Merging Strategy
Masakazu Atobe et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity
William Mahy et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor
Jonathan T. Seal et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering
Madita Wolter et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
Competition NMR for Detection of Hit/Lead Inhibitors of Protein-Protein Interactions
Bogdan Musielak et al.
MOLECULES (2020)
Crowdsourcing drug discovery for pandemics
John Chodera et al.
NATURE CHEMISTRY (2020)
Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification
Sherine E. Thomas et al.
NUCLEIC ACIDS RESEARCH (2020)
Assessment of the Fragment Docking Program SEED
Kenneth Goossens et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose
Kentaro Futatsugi et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors
Markus Schade et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Combined Protein- and Ligand-Observed NMR Workflow to Screen Fragment Cocktails against Multiple Proteins: A Case Study Using Bromodomains
Jorden A. Johnson et al.
MOLECULES (2020)
Covalent inhibition of NSD1 histone methyltransferase
Huang Huang et al.
NATURE CHEMICAL BIOLOGY (2020)
Many small steps towards a COVID-19 drug
Daniel A. Erlanson
NATURE COMMUNICATIONS (2020)
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
Alice Douangamath et al.
NATURE COMMUNICATIONS (2020)
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Lisa M. Baker et al.
COMMUNICATIONS CHEMISTRY (2020)
Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers
Eline Sijbesma et al.
ACS CHEMICAL BIOLOGY (2020)
Fragment-derived modulators of an industrial β-glucosidase
Eleni Makraki et al.
BIOCHEMICAL JOURNAL (2020)
Fragment-based lead discovery of a novel class of small molecule antagonists of neuropeptide B/W receptor subtype 1 (GPR7)
Remond Moningka et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2020)
LEADS-FRAG: A Benchmark Data Set for Assessment of Fragment Docking Performance
Laura Chachulski et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Benchmark Sets for Binding Hot Spot Identification in FragmentBased Ligand Discovery
Amanda E. Wakefield et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity
Yousuke Yamada et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Fragment-to-Lead Medicinal Chemistry Publications in 2019
Wolfgang Jahnke et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
A general fragment-based approach to identify and optimize bioactive ligands targeting RNA
Blessy M. Suresh et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)
Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design
Ikuo Fujimori et al.
ACS OMEGA (2020)
KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination
Dominique Sydow et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
5-Phenyl-1,3,4-oxadiazol-2(3H)-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit
William Mahy et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Discovery of Small Molecule Drugs Targeting the Biogenesis of microRNA-155 for the Treatment of Systemic Lupus Erythematosus
Kamal Azzaoui et al.
CHIMIA (2020)
Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Sarah L. Kidd et al.
CHEMICAL SCIENCE (2020)
Discovery of a novel kinase hinge binder fragment by dynamic undocking
Moira Rachman et al.
RSC MEDICINAL CHEMISTRY (2020)
C(sp3)-H arylation to construct all-syncyclobutane-based heterobicyclic systems: a novel fragment collection
Thomas J. Osberger et al.
CHEMICAL COMMUNICATIONS (2020)
Fsp3-rich and diverse fragments inspired by natural products as a collection to enhance fragment-based drug discovery
Abigail R. Hanby et al.
CHEMICAL COMMUNICATIONS (2020)
Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment based drug discovery
Christine N. Morrison et al.
CHEMICAL SCIENCE (2020)
Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers
Eline Sijbesma et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Aminoquinoline-Rhodium(II) Conjugates as Src-Family SH3 Ligands
Samuel C. Martin et al.
ACS MEDICINAL CHEMISTRY LETTERS (2019)
Fragment-to-Lead Medicinal Chemistry Publications in 2017
Paul N. Mortenson et al.
JOURNAL OF MEDICINAL CHEMISTRY (2019)
Fragment-to-Lead Medicinal Chemistry Publications in 2016
Christopher N. Johnson et al.
JOURNAL OF MEDICINAL CHEMISTRY (2018)
When fragments link: a bibliometric perspective on the development of fragment-based drug discovery
Angelo K. S. Romasanta et al.
DRUG DISCOVERY TODAY (2018)
Fragment-to-Lead Medicinal Chemistry Publications in 2015
Christopher N. Johnson et al.
JOURNAL OF MEDICINAL CHEMISTRY (2017)
Discovery of N-(4-(2,4-Difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide (ABBV-075/Mivebresib), a Potent and Orally Available Bromodomain and Extraterminal Domain (BET) Family Bromodomain Inhibitor
Keith F. McDaniel et al.
JOURNAL OF MEDICINAL CHEMISTRY (2017)
Assessing the lipophilicity of fragments and early hits
Paul N. Mortenson et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2011)
Rapid assessment of a novel series of selective CB2 agonists using parallel synthesis protocols: A Lipophilic Efficiency (LipE) analysis
Thomas Ryckmans et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2009)
The rise of fragment-based drug discovery
Christopher W. Murray et al.
NATURE CHEMISTRY (2009)
The influence of drug-like concepts on decision-making in medicinal chemistry
Paul D. Leeson et al.
NATURE REVIEWS DRUG DISCOVERY (2007)
The identification of clinical candidate SB-480848:: A potent inhibitor of lipoprotein-associated phospholipase A2
JA Blackie et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2003)
A new approach to finding natural chemical structure classes
J Xu
JOURNAL OF MEDICINAL CHEMISTRY (2002)
分享论文
