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De Novo Fragment Design: A Medicinal Chemistry Approach to Fragment-Based Lead Generation
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1007/128_2011_180openalex-snapshot
Introduction to Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.1007/128_2011_182openalex-snapshot
Fragment-Based Approaches and Computer-Aided Drug Discovery
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Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid
inferredcites →https://doi.org/10.1016/j.bmcl.2009.05.004openalex-snapshot
Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure–activity relationships of benzothiazine-substituted quinolinediones
inferredcites →https://doi.org/10.1016/j.bmcl.2009.08.023openalex-snapshot
Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: Synthesis and optimization studies of benzothiazine-substituted tetramic acids
inferredcites →https://doi.org/10.1016/s0040-4020(01)86503-0openalex-snapshot
Automatic creation of drug candidate structures based on receptor structure. Starting point for artificial lead generation.
inferredcites →https://doi.org/10.1016/s1359-6446(04)03069-7openalex-snapshot
Ligand efficiency: a useful metric for lead selection
inferredcites →https://doi.org/10.1021/ci7002494openalex-snapshot
Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis
inferredcites →https://doi.org/10.1021/jm060168gopenalex-snapshot
Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site
inferredcites →https://doi.org/10.1021/jm060511hopenalex-snapshot
Fragment-Based Drug Design: How Big Is Too Big?
inferredcites →https://doi.org/10.1021/jm061207ropenalex-snapshot
Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate
inferredcites →https://doi.org/10.1021/jm201384jopenalex-snapshot
Nucleoside, Nucleotide, and Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B RNA-Dependent RNA-Polymerase
inferredcites →https://doi.org/10.1021/jm800382hopenalex-snapshot
Identification of N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
inferredcites →https://doi.org/10.1038/nrd3847openalex-snapshot
Vemurafenib: the first drug approved for BRAF-mutant cancer
inferredcites →https://doi.org/10.1093/jac/dkn085openalex-snapshot
Existence of hepatitis C virus NS5B variants naturally resistant to non-nucleoside, but not to nucleoside, polymerase inhibitors among untreated patients
inferredcites →https://doi.org/10.1517/17460441.3.9.1123openalex-snapshot
Discovery of ABT-263, a Bcl-family protein inhibitor: observations on targeting a large protein–protein interaction
inferredcites →https://doi.org/10.2174/156802610790232305openalex-snapshot
Computational Approaches for Fragment-Based and De Novo Design
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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The Synthesis of Biophysical Methods In Support of Robust Fragment‐Based Lead Discovery
inferred← citeshttps://doi.org/10.1002/ange.201506783openalex-snapshot
Organische Chemie für die fragmentbasierte Wirkstoffentwicklung (FBDD)
inferred← citeshttps://doi.org/10.1002/ange.201915212openalex-snapshot
Deconstructive Reorganization: De Novo Synthesis of Hydroxylated Benzofuran
inferred← citeshttps://doi.org/10.1002/anie.201506783openalex-snapshot
Opportunity Knocks: Organic Chemistry for Fragment‐Based Drug Discovery (FBDD)
inferred← citeshttps://doi.org/10.1002/anie.201915212openalex-snapshot
Deconstructive Reorganization: De Novo Synthesis of Hydroxylated Benzofuran
inferred← citeshttps://doi.org/10.1002/jcc.25052openalex-snapshot
Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets
inferred← citeshttps://doi.org/10.1007/7355_2018_35openalex-snapshot
Evolution of HCV NS5B Non-nucleoside Inhibitors
inferred← citeshttps://doi.org/10.1007/s11030-024-10904-xopenalex-snapshot
Analyzing energetics and dynamics of hepatitis C virus polymerase interactions with marine bacterial compounds: a computational study
inferred← citeshttps://doi.org/10.1007/s11427-016-0060-7openalex-snapshot
Sirtuin 5: a review of structure, known inhibitors and clues for developing new inhibitors
inferred← citeshttps://doi.org/10.1016/b978-0-12-382030-3.00002-7openalex-snapshot
Lead Discovery and Lead Modification
inferred← citeshttps://doi.org/10.1016/j.antiviral.2014.03.013openalex-snapshot
Assessment of Dengue virus helicase and methyltransferase as targets for fragment-based drug discovery
inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.114595openalex-snapshot
Small molecule NS5B RdRp non-nucleoside inhibitors for the treatment of HCV infection: A medicinal chemistry perspective
inferred← citeshttps://doi.org/10.1021/acs.chemrev.7b00067openalex-snapshot
Recent Advances in the Synthesis of Hydantoins: The State of the Art of a Valuable Scaffold
inferred← citeshttps://doi.org/10.1021/acs.chemrev.9b00155openalex-snapshot
A Million Crystal Structures: The Whole Is Greater than the Sum of Its Parts
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01031openalex-snapshot
Descriptor-Driven de Novo Design Algorithms for DOCK6 Using RDKit
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c01016openalex-snapshot
Medicinal Chemistry Strategies for the Development of Inhibitors Disrupting β-Catenin’s Interactions with Its Nuclear Partners
inferred← citeshttps://doi.org/10.1021/acs.joc.1c00688openalex-snapshot
Enyne Amides to Fused Pyridones: Scope and Limitations
inferred← citeshttps://doi.org/10.1021/ci5006355openalex-snapshot
Evaluation of a Semi-Automated Workflow for Fragment Growing
inferred← citeshttps://doi.org/10.1021/cr500043bopenalex-snapshot
NMR-Based Approaches for the Identification and Optimization of Inhibitors of Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1021/ja501354qopenalex-snapshot
Substrate Deconstruction and the Nonadditivity of Enzyme Recognition
inferred← citeshttps://doi.org/10.1021/jm401266kopenalex-snapshot
Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B
inferred← citeshttps://doi.org/10.1021/jm401329sopenalex-snapshot
Discovery of N-[4-[6-tert-Butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a Potent Inhibitor of the Hepatitis C Virus NS5B Polymerase
inferred← citeshttps://doi.org/10.1021/jm501437vopenalex-snapshot
Design, Synthesis, and Biological Evaluation of Sulfonyl Acrylonitriles as Novel Inhibitors of Cancer Metastasis and Spread
inferred← citeshttps://doi.org/10.1038/s41467-024-49892-9openalex-snapshot
In silico fragment-based discovery of CIB1-directed anti-tumor agents by FRASE-bot
inferred← citeshttps://doi.org/10.1038/srep08361openalex-snapshot
A Ligand-observed Mass Spectrometry Approach Integrated into the Fragment Based Lead Discovery Pipeline
inferred← citeshttps://doi.org/10.1039/9781782620938-00019openalex-snapshot
Getting the Most Value from Your Screens: Advances in Hardware, Software, and Methodologies to Enhance Surface Plasmon Resonance Based Fragment Screening and Hit-to-Lead Support
inferred← citeshttps://doi.org/10.1039/c4sc00588kopenalex-snapshot
De novo fragment-based design of inhibitors of DXS guided by spin-diffusion-based NMR spectroscopy
inferred← citeshttps://doi.org/10.1039/d5ce00445dopenalex-snapshot
Exploitation of pseudo-symmetry in the Cambridge Structural Database for molecular ferroelectric discovery
inferred← citeshttps://doi.org/10.1080/17460441.2017.1280456openalex-snapshot
Screening-based approaches to identify small molecules that inhibit protein–protein interactions
inferred← citeshttps://doi.org/10.1093/bib/bbab474openalex-snapshot
A point cloud-based deep learning strategy for protein–ligand binding affinity prediction
inferred← citeshttps://doi.org/10.2174/1568026615666150519102459openalex-snapshot
High-Throughput Screening by Nuclear Magnetic Resonance (HTS by NMR) for the Identification of PPIs Antagonists
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