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Virtual screening to enrich hit lists from high‐throughput screening: A case study on small‐molecule inhibitors of angiogenin

https://doi.org/10.1002/prot.10270
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Increased angiogenin expression in the tumor tissue and serum of urothelial carcinoma patients is related to disease progression and recurrence
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High throughput docking for library design and library prioritization
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The observation of angiogenin and basic fibroblast growth factor gene expression in human colonic adenocarcinomas, gastric adenocarcinomas, and hepatocellular carcinomas
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Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in AutoDock
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A High-Throughput STAT Binding Assay Using Fluorescence Polarization
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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Refined Crystal Structures of Native Human Angiogenin and Two Active Site Variants: Implications for the Unique Functional Properties of an Enzyme Involved in Neovascularisation During Tumour Growth
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FlexE: efficient molecular docking considering protein structure variations
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The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
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Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design
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Small Molecule Inhibitors of RNase A and Related Enzymes
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Computational approaches to structure-based ligand design
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Extraction of pharmacophore information from high-throughput screens
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Statistical potentials and scoring functions applied to protein–ligand binding
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The SHAPES strategy: an NMR-based approach for lead generation in drug discovery
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Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites
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A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening
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Consensus scoring for ligand/protein interactions
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Methods for compound selection focused on hits and application in drug discovery
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High-throughput and virtual screening: core lead discovery technologies move towards integration
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Shifting the bottlenecks: HTS matures
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Miniaturized HTS technologies – uHTS
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Virtual screening and fast automated docking methods
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Reactive compounds and in vitro false positives in HTS
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High-throughput screening: new technology for the 21st century
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High-throughput docking for lead generation
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Visual and computational analysis of structure–activity relationships in high-throughput screening data
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Technological advances in high-throughput screening
inferredcites →https://doi.org/10.1021/bi00341a030openalex-snapshot
Isolation and characterization of angiogenin, an angiogenic protein from human carcinoma cells
inferredcites →https://doi.org/10.1021/bi00341a031openalex-snapshot
Amino acid sequence of human tumor derived angiogenin
inferredcites →https://doi.org/10.1021/bi00360a008openalex-snapshot
Characteristic ribonucleolytic activity of human angiogenin
inferredcites →https://doi.org/10.1021/bi00430a045openalex-snapshot
Role of lysines in human angiogenin: chemical modification and site-directed mutagenesis
inferredcites →https://doi.org/10.1021/bi00444a038openalex-snapshot
Site-directed mutagenesis of histidine-13 and histidine-114 of human angiogenin. Alanine derivatives inhibit angiogenin-induced angiogenesis
inferredcites →https://doi.org/10.1021/cc0000747openalex-snapshot
Retrospective Analysis of an Experimental High-Throughput Screening Data Set by Recursive Partitioning
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Confirmation of Primary Active Substances from High Throughput Screening of Chemical and Biological Populations: A Statistical Approach and Practical Considerations
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How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment
inferredcites →https://doi.org/10.1021/ci950274jopenalex-snapshot
Chemical Similarity Using Physiochemical Property Descriptors
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Similarity Searching in Files of Three-Dimensional Chemical Structures: Evaluation of the EVA Descriptor and Combination of Rankings Using Data Fusion
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Application of Nearest-Neighbor and Cluster Analyses in Pharmaceutical Lead Discovery
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Binary Quantitative Structure−Activity Relationship (QSAR) Analysis of Estrogen Receptor Ligands
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Analysis of a Large Structure/Biological Activity Data Set Using Recursive Partitioning
inferredcites →https://doi.org/10.1021/jm0003992openalex-snapshot
Detailed Analysis of Scoring Functions for Virtual Screening
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Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations
inferredcites →https://doi.org/10.1021/jm001090lopenalex-snapshot
A New Concept for Multidimensional Selection of Ligand Conformations (MultiSelect) and Multidimensional Scoring (MultiScore) of Protein−Ligand Binding Affinities
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A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening
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Data Analysis of High-Throughput Screening Results: Application of Multidomain Clustering to the NCI Anti-HIV Data Set
inferredcites →https://doi.org/10.1021/jm010877oopenalex-snapshot
From Hit to Lead. Combining Two Complementary Methods for Focused Library Design. Application to μ Opiate Ligands
inferredcites →https://doi.org/10.1021/jm990073xopenalex-snapshot
Evaluation of PMF Scoring in Docking Weak Ligands to the FK506 Binding Protein
inferredcites →https://doi.org/10.1021/jm990352kopenalex-snapshot
Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
inferredcites →https://doi.org/10.1023/a:1007907728892openalex-snapshot
QXP: Powerful, rapid computer algorithms for structure-based drug design
inferredcites →https://doi.org/10.1023/a:1007999920146openalex-snapshot
Prediction of binding constants of protein ligands: A fast method for the prioritization of hits obtained from de novo design or 3D database search programs
inferredcites →https://doi.org/10.1038/nrd706openalex-snapshot
High-throughput crystallography for lead discovery in drug design
inferredcites →https://doi.org/10.1073/pnas.152342999openalex-snapshot
A small-molecule inhibitor of the ribonucleolytic activity of human angiogenin that possesses antitumor activity
inferredcites →https://doi.org/10.1073/pnas.87.17.6644openalex-snapshot
Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease.
inferredcites →https://doi.org/10.1073/pnas.91.8.2915openalex-snapshot
Crystal structure of human angiogenin reveals the structural basis for its functional divergence from ribonuclease.
inferredcites →https://doi.org/10.1073/pnas.91.8.2920openalex-snapshot
Role of glutamine-117 in the ribonucleolytic activity of human angiogenin.
inferredcites →https://doi.org/10.1073/pnas.92.2.442openalex-snapshot
Angiogenin antagonists prevent tumor growth in vivo.
inferredcites →https://doi.org/10.1073/pnas.93.2.804openalex-snapshot
A combined kinetic and modeling study of the catalytic center subsites of human angiogenin.
inferredcites →https://doi.org/10.1093/nar/27.18.3696openalex-snapshot
Hypersensitive substrate for ribonucleases
inferredcites →https://doi.org/10.1110/ps.13601openalex-snapshot
Binding of Phosphate and pyrophosphate ions at the active site of human angiogenin as revealed by X‐ray crystallography
inferredcites →https://doi.org/10.1177/108705710000500202openalex-snapshot
High Throughput Fluorescence Polarization: A Homogeneous Alternative to Radioligand Binding for Cell Surface Receptors
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Identification of Inhibitors of Bacterial Transcription/Translation Machinery Utilizing a Miniaturized 1536-Well Format Screen
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Development of a CD28/CD86 (B7-2) Binding Assay for High Throughput Screening by Homogeneous Time-Resolved Fluorescence
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A Simple Statistical Parameter for Use in Evaluation and Validation of High Throughput Screening Assays
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Time-Resolved Fluorescence Energy Transfer DNA Helicase Assays for High Throughput Screening

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Computational studies on fatty acid synthesis: from mechanisms to drug design
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Application of In Silico and HTS Approaches to Identify Nuclear Import Inhibitors for Venezuelan Equine Encephalitis Virus Capsid Protein: A Case Study
inferred← citeshttps://doi.org/10.3389/fphar.2020.01040openalex-snapshot
Novel TRPV1 Channel Agonists With Faster and More Potent Analgesic Properties Than Capsaicin
inferred← citeshttps://doi.org/10.3390/ijms24119583openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/ph15111304openalex-snapshot
Mind the Gap—Deciphering GPCR Pharmacology Using 3D Pharmacophores and Artificial Intelligence
inferred← citeshttps://doi.org/10.3892/or.16.2.341openalex-snapshot
Nutraceutical inhibitors of urokinase: Potential applications in prostate cancer prevention and treatment
inferred← citeshttps://doi.org/10.4018/978-1-5225-0115-2.ch013openalex-snapshot
Current Trends in Docking Methodologies
inferred← citeshttps://doi.org/10.4018/978-1-5225-0549-5.ch032openalex-snapshot
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Computational Techniques in Binding Affinity Prediction of Drugs
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REVIEW PAPER Virtual screening strategies in drug design – methods and applications
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Virtual Screening Strategies in Drug Design
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Virtual high throughput screening (vHTS) – A perspective
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.