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Improving VEGFR-2 Docking-Based Screening by Pharmacophore Postfiltering and Similarity Search Postprocessing
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/chin.200536152openalex-snapshot
Novel 4‐Amino‐furo[2,3‐d]pyrimidines as Tie‐2 and VEGFR2 Dual Inhibitors.
inferredcites →https://doi.org/10.1007/bf01557724openalex-snapshot
Determination of clefts in receptor structures
inferredcites →https://doi.org/10.1007/s00018-006-6202-8openalex-snapshot
Structural biology of protein tyrosine kinases
inferredcites →https://doi.org/10.1007/s00044-008-9113-4openalex-snapshot
Pharmacophore based 3D-QSAR study of VEGFR-2 inhibitors
inferredcites →https://doi.org/10.1007/s10822-007-9163-6openalex-snapshot
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?
inferredcites →https://doi.org/10.1007/s10822-007-9165-4openalex-snapshot
Can we use docking and scoring for hit-to-lead optimization?
inferredcites →https://doi.org/10.1007/s10822-007-9167-2openalex-snapshot
Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?
inferredcites →https://doi.org/10.1007/s10822-008-9169-8openalex-snapshot
Evaluating docking programs: keeping the playing field level
inferredcites →https://doi.org/10.1007/s10822-008-9196-5openalex-snapshot
Recommendations for evaluation of computational methods
inferredcites →https://doi.org/10.1007/s10822-009-9302-3openalex-snapshot
Computation of 3D queries for ROCS based virtual screens
inferredcites →https://doi.org/10.1016/0165-6147(82)91059-8openalex-snapshot
Conformational analysis and drug design
inferredcites →https://doi.org/10.1016/j.bmcl.2005.03.034openalex-snapshot
Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2005.05.096openalex-snapshot
Discovery of a novel and potent series of dianilinopyrimidineurea and urea isostere inhibitors of VEGFR2 tyrosine kinase
inferredcites →https://doi.org/10.1016/j.bmcl.2005.06.001openalex-snapshot
Identification of novel angiogenesis inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2007.01.089openalex-snapshot
Pharmacophore modeling and in silico screening for new KDR kinase inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2007.05.104openalex-snapshot
In-silico fragment-based identification of novel angiogenesis inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2008.03.021openalex-snapshot
Scaffold oriented synthesis. Part 2: Design, synthesis and biological evaluation of pyrimido-diazepines as receptor tyrosine kinase inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2008.03.057openalex-snapshot
Discovery and preclinical studies of 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (BMS-645737), an in vivo active potent VEGFR-2 inhibitor
inferredcites →https://doi.org/10.1016/j.bmcl.2009.01.046openalex-snapshot
(1,2,3-Triazol-4-yl)benzenamines: Synthesis and activity against VEGF receptors 1 and 2
inferredcites →https://doi.org/10.1016/j.bmcl.2009.10.040openalex-snapshot
N-(4-(6,7-Disubstituted-quinolin-4-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamides: A novel series of dual c-Met/VEGFR2 receptor tyrosine kinase inhibitors
inferredcites →https://doi.org/10.1016/j.drudis.2006.10.012openalex-snapshot
Knowledge-based chemoinformatic approaches to drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2007.01.011openalex-snapshot
Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
inferredcites →https://doi.org/10.1016/j.drudis.2007.09.007openalex-snapshot
Molecule-pharmacophore superpositioning and pattern matching in computational drug design
inferredcites →https://doi.org/10.1016/j.tips.2008.12.001openalex-snapshot
The importance of discerning shape in molecular pharmacology
inferredcites →https://doi.org/10.1021/ci034289qopenalex-snapshot
Virtual Screening Using Protein−Ligand Docking: Avoiding Artificial Enrichment
inferredcites →https://doi.org/10.1021/ci100161zopenalex-snapshot
Protein Kinases: Docking and Homology Modeling Reliability
inferredcites →https://doi.org/10.1021/ci7000346openalex-snapshot
Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets
inferredcites →https://doi.org/10.1021/ci8002649openalex-snapshot
Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data
inferredcites →https://doi.org/10.1021/ci8003978openalex-snapshot
Better than Random? The Chemotype Enrichment Problem
inferredcites →https://doi.org/10.1021/ci8004226openalex-snapshot
How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information
inferredcites →https://doi.org/10.1021/ci9000053openalex-snapshot
Comparative Assessment of Scoring Functions on a Diverse Test Set
inferredcites →https://doi.org/10.1021/ci900056copenalex-snapshot
Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
inferredcites →https://doi.org/10.1021/jm049092jopenalex-snapshot
Virtual Screening Workflow Development Guided by the “Receiver Operating Characteristic” Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 4
inferredcites →https://doi.org/10.1021/jm049538wopenalex-snapshot
Discovery and Evaluation of 2-Anilino-5-aryloxazoles as a Novel Class of VEGFR2 Kinase Inhibitors
inferredcites →https://doi.org/10.1021/jm060167oopenalex-snapshot
Do Structurally Similar Ligands Bind in a Similar Fashion?
inferredcites →https://doi.org/10.1021/jm0608356openalex-snapshot
Benchmarking Sets for Molecular Docking
inferredcites →https://doi.org/10.1021/jm0611051openalex-snapshot
Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors
inferredcites →https://doi.org/10.1021/jm061112popenalex-snapshot
Alkynylpyrimidine Amide Derivatives as Potent, Selective, and Orally Active Inhibitors of Tie-2 Kinase
inferredcites →https://doi.org/10.1021/jm070034iopenalex-snapshot
Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors
inferredcites →https://doi.org/10.1021/jm8001185openalex-snapshot
Design, Synthesis, and Biological Evaluation of Novel 3-Aryl-4-(1H-indole-3yl)-1,5-dihydro-2H-pyrrole-2-ones as Vascular Endothelial Growth Factor Receptor (VEGF-R) Inhibitors
inferredcites →https://doi.org/10.1021/jm800566mopenalex-snapshot
Discovery of 5-[[4-[(2,3-Dimethyl-2 H -indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a Novel and Potent Vascular Endothelial Growth Factor Receptor Inhibitor
inferredcites →https://doi.org/10.1158/0008-5472.can-05-4665openalex-snapshot
AMG 706, an Oral, Multikinase Inhibitor that Selectively Targets Vascular Endothelial Growth Factor, Platelet-Derived Growth Factor, and Kit Receptors, Potently Inhibits Angiogenesis and Induces Regression in Tumor Xenografts
inferredcites →https://doi.org/10.1177/1534735405282557openalex-snapshot
Expression of Vascular Endothelial Growth Factor (VEGF) and VEGF Receptors in Tumor Angiogenesis and Malignancies
inferredcites →https://doi.org/10.1186/1758-2946-1-14openalex-snapshot
Optimal assignment methods for ligand-based virtual screening
inferredcites →https://doi.org/10.1186/1758-2946-1-6openalex-snapshot
Combining docking with pharmacophore filtering for improved virtual screening
inferredcites →https://doi.org/10.2174/157341208783497597openalex-snapshot
Protein-ligand Docking: A Review of Recent Advances and Future Perspectives
inferredcites →https://doi.org/10.2174/187152009787047752openalex-snapshot
Tyrosine Kinase Blockers: New Hope for Successful Cancer Therapy
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/minf.201600044openalex-snapshot
A Pareto Algorithm for Efficient De Novo Design of Multi‐functional Molecules
inferred← citeshttps://doi.org/10.1007/7653_2015_46openalex-snapshot
Pharmacophore Modeling: Methods and Applications
inferred← citeshttps://doi.org/10.1007/s10822-016-9918-zopenalex-snapshot
Binding mode similarity measures for ranking of docking poses: a case study on the adenosine A2A receptor
inferred← citeshttps://doi.org/10.1007/s11030-013-9493-3openalex-snapshot
An efficient multistep ligand-based virtual screening approach for GPR40 agonists
inferred← citeshttps://doi.org/10.1016/j.bpc.2021.106593openalex-snapshot
In silico drug discovery for a complex immunotherapeutic target - human c-Rel protein
inferred← citeshttps://doi.org/10.1016/j.ddtec.2013.02.002openalex-snapshot
Combination of ligand- and structure-based methods in virtual screening
inferred← citeshttps://doi.org/10.1016/j.jmgm.2011.10.005openalex-snapshot
Study of differences in the VEGFR2 inhibitory activities between semaxanib and SU5205 using 3D-QSAR, docking, and molecular dynamics simulations
inferred← citeshttps://doi.org/10.1016/j.tetlet.2017.03.019openalex-snapshot
Efficient synthesis of novel furo[2,3-d]pyrimidine derivatives under catalyst-free conditions
inferred← citeshttps://doi.org/10.1021/ci3002638openalex-snapshot
Integrating Ligand-Based and Protein-Centric Virtual Screening of Kinase Inhibitors Using Ensembles of Multiple Protein Kinase Genes and Conformations
inferred← citeshttps://doi.org/10.1021/ci400429gopenalex-snapshot
An Integrated Virtual Screening Approach for VEGFR-2 Inhibitors
inferred← citeshttps://doi.org/10.1021/ci500028uopenalex-snapshot
Improvement of Virtual Screening Results by Docking Data Feature Analysis
inferred← citeshttps://doi.org/10.1021/ci500114ropenalex-snapshot
Identification and Validation of Novel PERK Inhibitors
inferred← citeshttps://doi.org/10.20944/preprints201910.0174.v1openalex-snapshot
Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening and Molecular Dynamic Simulation Study
inferred← citeshttps://doi.org/10.2174/0929867324666170712115411openalex-snapshot
Rational Drug Design of Antineoplastic Agents Using 3D-QSAR, Cheminformatic, and Virtual Screening Approaches
inferred← citeshttps://doi.org/10.2174/1568026614666140929124445openalex-snapshot
Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances
inferred← citeshttps://doi.org/10.3389/fchem.2020.00250openalex-snapshot
Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening Study
inferred← citeshttps://doi.org/10.3389/fnins.2016.00265openalex-snapshot
Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies
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