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Pharmacophore Modeling, Quantitative Structure−Activity Relationship Analysis, and Shape-Complemented in Silico Screening Allow Access to Novel Influenza Neuraminidase Inhibitors

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Unsaturated N-acetyl- D-glucosaminuronic acid glycosides as inhibitors of influenza virus sialidase
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Fluorometric assay of neuraminidase with a sodium (4-methylumbelliferyl-α-d-N-acetylneuraminate) substrate
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Synthesis and influenza virus sialidase inhibitory activity of analogues of 4-guanidino-Neu5Ac2en (GG167) with modified 5-substituents
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Successful shape-Based virtual screening: The discovery of a potent inhibitor of the type I TGFβ receptor kinase (TβRI)
inferredcites →https://doi.org/10.1016/j.bmcl.2006.02.054openalex-snapshot
Neuraminidase pharmacophore model derived from diverse classes of inhibitors
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Virtual ligand screening: strategies, perspectives and limitations
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Ligand-based assessment of factor Xa binding site flexibility via elaborate pharmacophore exploration and genetic algorithm-based QSAR modeling
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Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions
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Discovery of new potent human protein tyrosine phosphatase inhibitors via pharmacophore and QSAR analysis followed by in silico screening
inferredcites →https://doi.org/10.1016/j.jmgm.2007.02.002openalex-snapshot
Combining docking, scoring and molecular field analyses to probe influenza neuraminidase–ligand interactions
inferredcites →https://doi.org/10.1016/j.micinf.2005.12.008openalex-snapshot
Roles of neuraminidase in the initial stage of influenza virus infection
inferredcites →https://doi.org/10.1016/j.sbi.2005.10.017openalex-snapshot
Enzymatic transition states and transition state analogues
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Heterogeneity and Inaccuracy in Protein Structures Solved by X-Ray Crystallography
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Synthesis of (3 R *,4 R *)-4-acetylamino-3-(pent-3-oxy)cyclohex-1-ene-1-carboxylic acid and its (3 S* ,4 R* )-isomer and their inhibitory action against influenza virus sialidases
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Synthesis and influenza virus sialidase inhibitory activity of analogues of 4-Guanidino-Neu5Ac2en (Zanamivir) modified in the glycerol side-chain
inferredcites →https://doi.org/10.1016/s0223-5234(99)80055-5openalex-snapshot
4-Acetylamino-3-(imidazol-1-yl)-benzoic acids as novel inhibitors of influenza sialidase
inferredcites →https://doi.org/10.1016/s0960-894x(00)00214-6openalex-snapshot
Carbocyclic influenza neuraminidase inhibitors possessing a C3-cyclic amine side chain: synthesis and inhibitory activity
inferredcites →https://doi.org/10.1016/s0960-894x(01)00019-1openalex-snapshot
Sialidase inhibitors related to zanamivir. Further SAR studies of 4-amino-4H-pyran-2-carboxylic acid-6-propylamides
inferredcites →https://doi.org/10.1016/s0960-894x(02)00328-1openalex-snapshot
Synthesis and anti-influenza virus activity of 4-guanidino-7-substituted Neu5Ac2en derivatives
inferredcites →https://doi.org/10.1016/s0960-894x(02)00329-3openalex-snapshot
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inferredcites →https://doi.org/10.1016/s0960-894x(02)01039-9openalex-snapshot
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inferredcites →https://doi.org/10.1016/s0960-894x(96)00542-2openalex-snapshot
Novel inhibitors of influenza sialidases related to GG167 structure-activity, crystallographic and Molecular dynamics studies with 4H-pyran-2-carboxylic acid 6-carboxamides
inferredcites →https://doi.org/10.1016/s0960-894x(97)00333-8openalex-snapshot
Structure-activity relationships of carbocyclic influenza neuraminidase inhibitors
inferredcites →https://doi.org/10.1016/s0960-894x(97)00399-5openalex-snapshot
Novel inhibitors of influenza sialidases related to zanamivir. Heterocyclic replacements of the glycerol sidechain
inferredcites →https://doi.org/10.1016/s0960-894x(98)00587-3openalex-snapshot
A new series of C3-aza carbocyclic influenza neuraminidase inhibitors: synthesis and inhibitory activity
inferredcites →https://doi.org/10.1016/s0968-0896(99)00197-2openalex-snapshot
Hydrophobic benzoic acids as inhibitors of influenza neuraminidase
inferredcites →https://doi.org/10.1016/s0969-2126(97)00265-7openalex-snapshot
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inferredcites →https://doi.org/10.1016/s1093-3263(02)00164-xopenalex-snapshot
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inferredcites →https://doi.org/10.1016/s1286-4579(02)00013-8openalex-snapshot
Pandemic influenza: its origin and control
inferredcites →https://doi.org/10.1016/s1359-6446(02)02411-xopenalex-snapshot
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GPCRs: an update on structural approaches to drug discovery
inferredcites →https://doi.org/10.1021/ar0200495openalex-snapshot
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inferredcites →https://doi.org/10.1021/bi0205449openalex-snapshot
Influenza Neuraminidase Inhibitors: Structure-Based Design of a Novel Inhibitor Series
inferredcites →https://doi.org/10.1021/cb700228topenalex-snapshot
Rational Design of Transition-State Analogues as Potent Enzyme Inhibitors with Therapeutic Applications
inferredcites →https://doi.org/10.1021/ci00020a020openalex-snapshot
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships
inferredcites →https://doi.org/10.1021/ci049844iopenalex-snapshot
Influenza Virus Neuraminidase Inhibitors: Generation and Comparison of Structure-Based and Common Feature Pharmacophore Hypotheses and Their Application in Virtual Screening
inferredcites →https://doi.org/10.1021/ci700130jopenalex-snapshot
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inferredcites →https://doi.org/10.1021/ci960108ropenalex-snapshot
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inferredcites →https://doi.org/10.1021/ja963036topenalex-snapshot
Influenza Neuraminidase Inhibitors Possessing a Novel Hydrophobic Interaction in the Enzyme Active Site: Design, Synthesis, and Structural Analysis of Carbocyclic Sialic Acid Analogues with Potent Anti-Influenza Activity
inferredcites →https://doi.org/10.1021/jm0002679openalex-snapshot
BCX-1812 (RWJ-270201): Discovery of a Novel, Highly Potent, Orally Active, and Selective Influenza Neuraminidase Inhibitor through Structure-Based Drug Design
inferredcites →https://doi.org/10.1021/jm010277popenalex-snapshot
Systematic Structure-Based Design and Stereoselective Synthesis of Novel Multisubstituted Cyclopentane Derivatives with Potent Antiinfluenza Activity
inferredcites →https://doi.org/10.1021/jm021032vopenalex-snapshot
Non-Peptide Angiotensin II Receptor Antagonists: Chemical Feature Based Pharmacophore Identification
inferredcites →https://doi.org/10.1021/jm049896zopenalex-snapshot
Pruned Receptor Surface Models and Pharmacophores for Three-Dimensional Database Searching
inferredcites →https://doi.org/10.1021/jm7009765openalex-snapshot
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inferredcites →https://doi.org/10.1021/jm800718kopenalex-snapshot
Combining Ligand-Based Pharmacophore Modeling, Quantitative Structure−Activity Relationship Analysis and in Silico Screening for the Discovery of New Potent Hormone Sensitive Lipase Inhibitors
inferredcites →https://doi.org/10.1021/jm970374bopenalex-snapshot
Dihydropyrancarboxamides Related to Zanamivir: A New Series of Inhibitors of Influenza Virus Sialidases. 1. Discovery, Synthesis, Biological Activity, and Structure−Activity Relationships of 4-Guanidino- and 4-Amino-4H-pyran-6-carboxamides
inferredcites →https://doi.org/10.1021/jm9703754openalex-snapshot
Dihydropyrancarboxamides Related to Zanamivir: A New Series of Inhibitors of Influenza Virus Sialidases. 2. Crystallographic and Molecular Modeling Study of Complexes of 4-Amino-4H-pyran-6-carboxamides and Sialidase from Influenza Virus Types A and B
inferredcites →https://doi.org/10.1021/jm970479eopenalex-snapshot
Design and Synthesis of Benzoic Acid Derivatives as Influenza Neuraminidase Inhibitors Using Structure-Based Drug Design
inferredcites →https://doi.org/10.1021/jm980162uopenalex-snapshot
Structure−Activity Relationship Studies of Novel Carbocyclic Influenza Neuraminidase Inhibitors
inferredcites →https://doi.org/10.1021/jm980707kopenalex-snapshot
Potent Inhibition of Influenza Sialidase by a Benzoic Acid Containing a 2-Pyrrolidinone Substituent
inferredcites →https://doi.org/10.1038/303041a0openalex-snapshot
Structure of the catalytic and antigenic sites in influenza virus neuraminidase
inferredcites →https://doi.org/10.1038/363418a0openalex-snapshot
Rational design of potent sialidase-based inhibitors of influenza virus replication
inferredcites →https://doi.org/10.1038/4371108aopenalex-snapshot
Isolation of drug-resistant H5N1 virus
inferredcites →https://doi.org/10.1146/annurev.med.57.121304.131333openalex-snapshot
Avian Flu to Human Influenza
inferredcites →https://doi.org/10.1177/095632020201300401openalex-snapshot
New Millennium Antivirals against Pandemic and Epidemic Influenza: The Neuraminidase Inhibitors
inferredcites →https://doi.org/10.1517/13543784.6.10.1501openalex-snapshot
Sialidase as a target for inhibitors of influenza virus replication
inferredcites →https://doi.org/10.2174/1389450033491019openalex-snapshot
Recent Strategies in the Search for New Anti-Influenza Therapies
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Vaccines and Antiviral Drugs in Pandemic Preparedness

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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