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Observations on Screening-Based Research and Some Concerning Trends in the Literature
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1016/j.bmc.2008.11.079openalex-snapshot
Synthesis of isothiazol-3-one derivatives as inhibitors of histone acetyltransferases (HATs)
inferredcites →https://doi.org/10.1016/j.bmcl.2006.12.016openalex-snapshot
High-throughput screening affords novel and selective trypanothione reductase inhibitors with anti-trypanosomal activity
inferredcites →https://doi.org/10.1016/j.bmcl.2009.09.106openalex-snapshot
Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening
inferredcites →https://doi.org/10.1016/j.cbpa.2010.03.020openalex-snapshot
Apparent activity in high-throughput screening: origins of compound-dependent assay interference
inferredcites →https://doi.org/10.1016/j.ccr.2006.08.027openalex-snapshot
The BH3 mimetic ABT-737 targets selective Bcl-2 proteins and efficiently induces apoptosis via Bak/Bax if Mcl-1 is neutralized
inferredcites →https://doi.org/10.1016/j.chembiol.2006.06.007openalex-snapshot
Chemical Probes of UDP-Galactopyranose Mutase
inferredcites →https://doi.org/10.1016/j.chembiol.2009.10.006openalex-snapshot
Identification and Characterization of a Small Molecule Inhibitor of Formin-Mediated Actin Assembly
inferredcites →https://doi.org/10.1016/j.chembiol.2010.03.006openalex-snapshot
Virtual Ligand Screening of the p300/CBP Histone Acetyltransferase: Identification of a Selective Small Molecule Inhibitor
inferredcites →https://doi.org/10.1016/j.jmb.2006.01.032openalex-snapshot
Novel Inhibitors of Hepatitis C Virus RNA-dependent RNA Polymerases
inferredcites →https://doi.org/10.1016/s0162-0134(99)00131-2openalex-snapshot
Cytotoxicity of salicylaldehyde benzoylhydrazone analogs and their transition metal complexes: quantitative structure–activity relationships
inferredcites →https://doi.org/10.1016/s0166-1280(99)00307-3openalex-snapshot
A possible molecular mechanism for the inhibition of cysteine proteases by salicylaldehyde N-acylhydrazones and related compounds
inferredcites →https://doi.org/10.1016/s0169-409x(02)00003-0openalex-snapshot
Prediction of ‘drug-likeness’
inferredcites →https://doi.org/10.1016/s0277-5387(97)00413-0openalex-snapshot
Spectroscopic and theoretical study of aromatic α-hydroxy hydrazones and their copper(II) complexes in dioxane-water mixtures
inferredcites →https://doi.org/10.1016/s0960-894x(00)00051-2openalex-snapshot
Naphthyl ketones: a new class of Janus kinase 3 inhibitors
inferredcites →https://doi.org/10.1016/s0960-894x(02)00941-1openalex-snapshot
Both 5-arylidene-2-thioxodihydropyrimidine-4,6(1H,5H)-diones and 3-thioxo-2,3-dihydro-1H-imidazo[1,5-a]indol-1-ones are light-Dependent tumor necrosis factor-α antagonists
inferredcites →https://doi.org/10.1016/s1359-6446(97)01083-0openalex-snapshot
Reactive compounds and in vitro false positives in HTS
inferredcites →https://doi.org/10.1021/ci7004687openalex-snapshot
SYBYL Line Notation (SLN): A Single Notation To Represent Chemical Structures, Queries, Reactions, and Virtual Libraries
inferredcites →https://doi.org/10.1021/ci990423oopenalex-snapshot
Strategic Pooling of Compounds for High-Throughput Screening
inferredcites →https://doi.org/10.1021/ja0455547openalex-snapshot
ALARM NMR: A Rapid and Robust Experimental Method To Detect Reactive False Positives in Biochemical Screens
inferredcites →https://doi.org/10.1021/jm050859xopenalex-snapshot
SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase
inferredcites →https://doi.org/10.1021/jm800498eopenalex-snapshot
Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins
inferredcites →https://doi.org/10.1021/jm9002704openalex-snapshot
Improvement of Pharmacological Properties of Irreversible Thyroid Receptor Coactivator Binding Inhibitors
inferredcites →https://doi.org/10.1021/jm901137jopenalex-snapshot
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
inferredcites →https://doi.org/10.1021/jm9011802openalex-snapshot
Synthesis and Characterization of Iodinated Tetrahydroquinolines Targeting the G Protein-Coupled Estrogen Receptor GPR30
inferredcites →https://doi.org/10.1021/jo702590sopenalex-snapshot
Electrophilicity Parameters of 5-Benzylidene-2,2-dimethyl[1,3]dioxane-4,6-diones (Benzylidene Meldrum's Acids)
inferredcites →https://doi.org/10.1038/35055085openalex-snapshot
Identification of small-molecule inhibitors of interaction between the BH3 domain and Bcl-xL
inferredcites →https://doi.org/10.1038/nature08960openalex-snapshot
Chemical genetics strategy identifies an HCV NS5A inhibitor with a potent clinical effect
inferredcites →https://doi.org/10.1038/nbt.1645openalex-snapshot
Chemical genetics screen for enhancers of rapamycin identifies a specific inhibitor of an SCF family E3 ubiquitin ligase
inferredcites →https://doi.org/10.1073/pnas.0502733102openalex-snapshot
Efficient synthetic inhibitors of anthrax lethal factor
inferredcites →https://doi.org/10.1073/pnas.0909587107openalex-snapshot
A broad-spectrum antiviral targeting entry of enveloped viruses
inferredcites →https://doi.org/10.1073/pnas.211178398openalex-snapshot
Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-α
inferredcites →https://doi.org/10.1074/jbc.m506693200openalex-snapshot
Discovery of Small Molecule Inhibitors of the Interaction of the Thyroid Hormone Receptor with Transcriptional Coregulators
inferredcites →https://doi.org/10.1089/adt.2008.151openalex-snapshot
Development of a 384-Well Colorimetric Assay to Quantify Hydrogen Peroxide Generated by the Redox Cycling of Compounds in the Presence of Reducing Agents
inferredcites →https://doi.org/10.1126/science.321.5890.764openalex-snapshot
Industrial-Style Screening Meets Academic Biology
inferredcites →https://doi.org/10.1159/000051288openalex-snapshot
Treatment of Alzheimer’s Disease with Clioquinol
inferredcites →https://doi.org/10.1177/1087057107304113openalex-snapshot
A Simple Assay for Detection of Small-Molecule Redox Activity
inferredcites →https://doi.org/10.4155/fmc.10.21openalex-snapshot
Strategies for Discovering and Derisking Covalent, Irreversible Enzyme Inhibitors
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Exploring the mechanism of inhibition of human telomerase by cysteine‐reactive compounds
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A Perspective on the Evolution of Collaborative Drug Discovery and Future Challenges
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An Integrated Approach for Fragment‐Based Lead Discovery: Virtual, NMR, and High‐Throughput Screening Combined with Structure‐Guided Design. Application to the Aspartyl Protease Renin.
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Small‐Molecule Procaspase Activators Identified Using Fluorescence Polarization
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A Detective Story in Drug Discovery: Elucidation of a Screening Artifact Reveals Polymeric Carboxylic Acids as Potent Inhibitors of RNA Polymerase
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Hit Dexter: A Machine‐Learning Model for the Prediction of Frequent Hitters
inferred← citeshttps://doi.org/10.1002/cpch.35openalex-snapshot
ALARM NMR for HTS Triage and Chemical Probe Validation
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Chemistry and Applications of Functionalized 2,4‐Thiazolidinediones
inferred← citeshttps://doi.org/10.1002/med.70029openalex-snapshot
Medicinal Chemistry Strategies for the Development of CD73 Inhibitors in Cancer Immunotherapy
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Introduction to Fragment-Based Drug Discovery
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Computational Multi-Target Drug Design
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Integrated Chemoinformatics Approaches Toward Epigenetic Drug Discovery
inferred← citeshttps://doi.org/10.1007/s10858-013-9740-zopenalex-snapshot
Fragment-based drug discovery using NMR spectroscopy
inferred← citeshttps://doi.org/10.1016/b978-0-12-802220-7.00005-3openalex-snapshot
The Significance of Discovery Screening and Structure Optimization Studies
inferred← citeshttps://doi.org/10.1016/b978-0-12-815461-8.00017-7openalex-snapshot
Molecular Mechanisms of Action of Curcumin and Its Relevance to Some Clinical Conditions
inferred← citeshttps://doi.org/10.1016/j.antiviral.2025.106209openalex-snapshot
High-throughput screening for identification of influenza a inhibitors using a cell-based immunofluorescence assay
inferred← citeshttps://doi.org/10.1016/j.apsb.2021.02.023openalex-snapshot
Gains from no real PAINS: Where ‘Fair Trial Strategy’ stands in the development of multi-target ligands
inferred← citeshttps://doi.org/10.1016/j.bbapap.2013.05.010openalex-snapshot
Cheminformatics at the interface of medicinal chemistry and proteomics
inferred← citeshttps://doi.org/10.1016/j.bioorg.2019.01.035openalex-snapshot
Discovery of alkoxy benzamide derivatives as novel BPTF bromodomain inhibitors via structure-based virtual screening
inferred← citeshttps://doi.org/10.1016/j.bmc.2021.116453openalex-snapshot
Synthesis of novel indole-thiazolidinone hybrid structures as promising scaffold with anticancer potential
inferred← citeshttps://doi.org/10.1016/j.bmc.2022.116708openalex-snapshot
Thiosemicarbazone derivatives: Evaluation as cruzipain inhibitors and molecular modeling study of complexes with cruzain
inferred← citeshttps://doi.org/10.1016/j.bmcl.2012.09.091openalex-snapshot
Synthesis and antitrypanosomal activity of new 6,6,7-trisubstituted thiopyrano[2,3-d][1,3]thiazoles
inferred← citeshttps://doi.org/10.1016/j.bmcl.2013.03.028openalex-snapshot
Learning from our mistakes: The ‘unknown knowns’ in fragment screening
inferred← citeshttps://doi.org/10.1016/j.bmcl.2015.08.020openalex-snapshot
Post-HTS case report and structural alert: Promiscuous 4-aroyl-1,5-disubstituted-3-hydroxy-2H-pyrrol-2-one actives verified by ALARM NMR
inferred← citeshttps://doi.org/10.1016/j.bmcl.2020.127061openalex-snapshot
Lead discovery, chemical optimization, and biological evaluation studies of novel histone methyltransferase SET7 small-molecule inhibitors
inferred← citeshttps://doi.org/10.1016/j.chembiol.2011.12.007openalex-snapshot
Established and Emerging Trends in Computational Drug Discovery in the Structural Genomics Era
inferred← citeshttps://doi.org/10.1016/j.chembiol.2021.01.021openalex-snapshot
Nuisance compounds in cellular assays
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2018.11.025openalex-snapshot
Isolation and in silico prediction of potential drug-like compounds from Anethum sowa L. root extracts targeted towards cancer therapy
inferred← citeshttps://doi.org/10.1016/j.drudis.2011.06.011openalex-snapshot
Redox-active nuisance screening compounds and their classification
inferred← citeshttps://doi.org/10.1016/j.drudis.2014.12.011openalex-snapshot
Rethinking ‘academic’ drug discovery: the Manchester Institute perspective
inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.09.017openalex-snapshot
New 5-benzylidenethiazolidin-4-one inhibitors of bacterial MurD ligase: Design, synthesis, crystal structures, and biological evaluation
inferred← citeshttps://doi.org/10.1016/j.ejmech.2016.03.089openalex-snapshot
5-Ene-4-thiazolidinones induce apoptosis in mammalian leukemia cells
inferred← citeshttps://doi.org/10.1016/j.ejmech.2017.05.015openalex-snapshot
The relevance of K i calculation for bi-substrate enzymes illustrated by kinetic evaluation of a novel lysine (K) acetyltransferase 8 inhibitor
inferred← citeshttps://doi.org/10.1016/j.ejmech.2017.09.031openalex-snapshot
5-Ene-4-thiazolidinones – An efficient tool in medicinal chemistry
inferred← citeshttps://doi.org/10.1016/j.ejmech.2021.113698openalex-snapshot
Insights on Dengue and Zika NS5 RNA-dependent RNA polymerase (RdRp) inhibitors
inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.115003openalex-snapshot
New bioisosteric sulphur-containing choline kinase inhibitors with a tracked mode of action
inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115572openalex-snapshot
Design, synthesis, antiviral evaluation, and In silico studies of acrylamides targeting nsP2 from Chikungunya virus
inferred← citeshttps://doi.org/10.1016/j.ejmech.2025.118550openalex-snapshot
Promiscuously bioactive compounds are prevalent in widely used commercial drug repurposing libraries
inferred← citeshttps://doi.org/10.1016/j.ejmech.2026.119412openalex-snapshot
Biological evidence versus structural bias – phenolic Mannich bases in medicinal chemistry
inferred← citeshttps://doi.org/10.1016/j.jep.2019.112305openalex-snapshot
New role for crinamine as a potent, safe and selective inhibitor of human monoamine oxidase B: In vitro and in silico pharmacology and modeling
inferred← citeshttps://doi.org/10.1016/j.molstruc.2023.135025openalex-snapshot
A rhodanine derivative as a potential antibacterial and anticancer agent: Crystal structure, spectral characterization, DFT calculations, Hirshfeld surface analysis, in silico molecular docking and ADMET studies
inferred← citeshttps://doi.org/10.1016/j.pharmthera.2014.08.003openalex-snapshot
Small molecule Mcl-1 inhibitors for the treatment of cancer
inferred← citeshttps://doi.org/10.1016/j.phytochem.2019.03.014openalex-snapshot
Synthesis of potent neuroprotective butenolides based on plant smoke derived 3,4,5-Trimethylfuran-2(5H)-one and 3-methyl-2H-furo[2,3-c]pyrone-2-one
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High-throughput screening for the identification of dual inhibitors of BRD4 and RIPK3 toward the development of small-molecule medical countermeasure agents against arsenicals
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Crotonic, cynnamic, and propiolic acids motifs in the synthesis of thiopyrano[2,3-d][1,3]thiazoles via hetero-Diels–Alder reaction and related tandem processes
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trans -Aconitic acid-based hetero -Diels-Alder reaction in the synthesis of thiopyrano[2,3- d ][1,3]thiazole derivatives
inferred← citeshttps://doi.org/10.1016/j.trac.2024.117833openalex-snapshot
Advanced technologies for screening and identifying covalent inhibitors
inferred← citeshttps://doi.org/10.1021/acs.biochem.7b00110openalex-snapshot
The Ecstasy and Agony of Assay Interference Compounds
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00105openalex-snapshot
The Ecstasy and Agony of Assay Interference Compounds
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00104openalex-snapshot
Modeling Small-Molecule Reactivity Identifies Promiscuous Bioactive Compounds
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00615openalex-snapshot
ZINClick v.18: Expanding Chemical Space of 1,2,3-Triazoles
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c01721openalex-snapshot
Metalloaminopeptidases of the Protozoan Parasite Plasmodium falciparum as Targets for the Discovery of Novel Antimalarial Drugs
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c00830openalex-snapshot
Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c01277openalex-snapshot
Fused Tetrahydroquinolines Are Interfering with Your Assay
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c01073openalex-snapshot
4-Substituted-2-Thiazole Amides as Viral Replication Inhibitors of Alphaviruses
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b00223openalex-snapshot
Discovery of Selective Small-Molecule Inhibitors for the β-Catenin/T-Cell Factor Protein–Protein Interaction through the Optimization of the Acyl Hydrazone Moiety
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Ethyl 2-((4-Chlorophenyl)amino)thiazole-4-carboxylate and Derivatives Are Potent Inducers of Oct3/4
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b00930openalex-snapshot
Oxidative Reactivities of 2-Furylquinolines: Ubiquitous Scaffolds in Common High-Throughput Screening Libraries
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01154openalex-snapshot
Discovery and Optimization of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Pharmacophore- and Docking-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b00788openalex-snapshot
Covalent Modifiers: A Chemical Perspective on the Reactivity of α,β-Unsaturated Carbonyls with Thiols via Hetero-Michael Addition Reactions
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.7b00229openalex-snapshot
The Ecstasy and Agony of Assay Interference Compounds
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.8b00318openalex-snapshot
Reviewing Hit Discovery Literature for Difficult Targets: Glutathione Transferase Omega-1 as an Example
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.8b00358openalex-snapshot
Non-covalent Small-Molecule Kelch-like ECH-Associated Protein 1–Nuclear Factor Erythroid 2-Related Factor 2 (Keap1–Nrf2) Inhibitors and Their Potential for Targeting Central Nervous System Diseases
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.8b00610openalex-snapshot
Tau-Centric Multitarget Approach for Alzheimer’s Disease: Development of First-in-Class Dual Glycogen Synthase Kinase 3β and Tau-Aggregation Inhibitors
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b00665openalex-snapshot
Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.5b00947openalex-snapshot
Feeling Nature’s PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS)
inferred← citeshttps://doi.org/10.1021/acscentsci.6b00086openalex-snapshot
Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles
inferred← citeshttps://doi.org/10.1021/acscentsci.7b00069openalex-snapshot
The Ecstasy and Agony of Assay Interference Compounds
inferred← citeshttps://doi.org/10.1021/acschembio.7b00119openalex-snapshot
The Ecstasy and Agony of Assay Interference Compounds
inferred← citeshttps://doi.org/10.1021/acschembio.7b00903openalex-snapshot
Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017─Utility and Limitations
inferred← citeshttps://doi.org/10.1021/acschemneuro.7b00064openalex-snapshot
The Ecstasy and Agony of Assay Interference Compounds
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Fast-Killing Tyrosine Amide (( S )-SW228703) with Blood- and Liver-Stage Antimalarial Activity Associated with the Cyclic Amine Resistance Locus ( Pf CARL)
inferred← citeshttps://doi.org/10.1021/acsinfecdis.7b00023openalex-snapshot
The Ecstasy and Agony of Assay Interference Compounds
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.5b00032openalex-snapshot
Screening-Based Translation of Public Research Encounters Painful Problems
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.5b00375openalex-snapshot
Beyond PAINs: Chemotype Sensitivity of Protein Methyltransferases in Screens
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.5b00385openalex-snapshot
Characterizing the Covalent Targets of a Small Molecule Inhibitor of the Lysine Acetyltransferase P300
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.7b00056openalex-snapshot
The Ecstasy and Agony of Assay Interference Compounds
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Aminobenzylated 4-Nitrophenols as Antibacterial Agents Obtained from 5-Nitrosalicylaldehyde through a Petasis Borono–Mannich Reaction
inferred← citeshttps://doi.org/10.1021/cb500512zopenalex-snapshot
Ebselen Inhibits Hepatitis C Virus NS3 Helicase Binding to Nucleic Acid and Prevents Viral Replication
inferred← citeshttps://doi.org/10.1021/ci300461aopenalex-snapshot
Broad Coverage of Commercially Available Lead-like Screening Space with Fewer than 350,000 Compounds
inferred← citeshttps://doi.org/10.1021/ci400529hopenalex-snapshot
ZINClick: A Database of 16 Million Novel, Patentable, and Readily Synthesizable 1,4-Disubstituted Triazoles
inferred← citeshttps://doi.org/10.1021/jacsau.4c00851openalex-snapshot
A Collection of Useful Nuisance Compounds (CONS) for Interrogation of Bioassay Integrity
inferred← citeshttps://doi.org/10.1021/jm2002525openalex-snapshot
Structure-Based Design of a New Series of d -Glutamic Acid Based Inhibitors of Bacterial UDP-N-acetylmuramoyl- l -alanine: d -glutamate Ligase (MurD)
inferred← citeshttps://doi.org/10.1021/jm301008nopenalex-snapshot
Rules for Identifying Potentially Reactive or Promiscuous Compounds
inferred← citeshttps://doi.org/10.1021/jm501061aopenalex-snapshot
Inhibiting the Deubiquitinating Enzymes (DUBs)
inferred← citeshttps://doi.org/10.1021/ml400012gopenalex-snapshot
Drug Discovery in an Academic Setting: Playing to the Strengths
inferred← citeshttps://doi.org/10.1038/513481aopenalex-snapshot
Chemistry: Chemical con artists foil drug discovery
inferred← citeshttps://doi.org/10.1038/nrd.2016.109openalex-snapshot
Twenty years on: the impact of fragments on drug discovery
inferred← citeshttps://doi.org/10.1038/nrd4578openalex-snapshot
Mitigating risk in academic preclinical drug discovery
inferred← citeshttps://doi.org/10.1038/s41598-018-27899-9openalex-snapshot
Discovery of Mcl-1 inhibitors from integrated high throughput and virtual screening
inferred← citeshttps://doi.org/10.1038/s41598-020-69246-xopenalex-snapshot
DNA unchained: two assays to discover and study inhibitors of the DNA clustering function of barrier-to-autointegration factor
inferred← citeshttps://doi.org/10.1038/s41598-021-94951-6openalex-snapshot
Comprehensive virtual screening of 4.8 k flavonoids reveals novel insights into allosteric inhibition of SARS-CoV-2 MPRO
inferred← citeshttps://doi.org/10.1038/s41598-022-17685-zopenalex-snapshot
Alterations to the broad-spectrum formin inhibitor SMIFH2 modulate potency but not specificity
inferred← citeshttps://doi.org/10.1038/srep36777openalex-snapshot
Molecular Mechanism of Action of Antimalarial Benzoisothiazolones: Species-Selective Inhibitors of the Plasmodium spp. MEP Pathway enzyme, IspD
inferred← citeshttps://doi.org/10.1038/srep46277openalex-snapshot
Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors
inferred← citeshttps://doi.org/10.1039/9781782620938-00001openalex-snapshot
Different Flavours of Fragments
inferred← citeshttps://doi.org/10.1039/c3md00226hopenalex-snapshot
Development and evaluation of selective, reversible LSD1 inhibitors derived from fragments
inferred← citeshttps://doi.org/10.1039/c5md00582eopenalex-snapshot
Small molecules targeting Mcl-1: the search for a silver bullet in cancer therapy
inferred← citeshttps://doi.org/10.1039/c6ra11240dopenalex-snapshot
Identification of new p300 histone acetyltransferase inhibitors from natural products by a customized virtual screening method
inferred← citeshttps://doi.org/10.1039/c7ra00825bopenalex-snapshot
Synthesis and antimicrobial evaluation of promising 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates and their halogenated amino compounds for treating Gram-negative bacterial infections
inferred← citeshttps://doi.org/10.1039/c9nj01732aopenalex-snapshot
The easy synthesis of new N -substituted 5-oxindoline-rhodanines and their sensing ability: the recognition of acetate ions in aqueous solution
inferred← citeshttps://doi.org/10.1039/d1md00045dopenalex-snapshot
Tumor pyruvate kinase M2 modulators: a comprehensive account of activators and inhibitors as anticancer agents
inferred← citeshttps://doi.org/10.1071/ch13551openalex-snapshot
PAINS: Relevance to Tool Compound Discovery and Fragment-Based Screening
inferred← citeshttps://doi.org/10.1071/ch20244openalex-snapshot
Personal Accounts of Australian Drug Discovery at the Public–Private Interface*
inferred← citeshttps://doi.org/10.1071/ch22184openalex-snapshot
Structural reassignment of a dibenz[b,f][1,4]oxazepin-11(10H)-one with potent antigiardial activity
inferred← citeshttps://doi.org/10.1080/00397911.2013.800552openalex-snapshot
5-Ethoxymethylidene-4-thioxo-2-thiazolidinone as Versatile Building Block for Novel Biorelevant Small Molecules with Thiopyrano[2,3-d][1,3]thiazole Core
inferred← citeshttps://doi.org/10.1080/10426507.2016.1166108openalex-snapshot
Synthesis, anticancer and antiviral activities of novel thiopyrano[2,3-d]thiazole-6-carbaldehydes
inferred← citeshttps://doi.org/10.1080/17460441.2017.1388370openalex-snapshot
Recent developments with rhodanine as a scaffold for drug discovery
inferred← citeshttps://doi.org/10.1089/adt.2015.674openalex-snapshot
How to Triage PAINS-Full Research
inferred← citeshttps://doi.org/10.1089/adt.2016.29035.jbaopenalex-snapshot
Interview with Jonathan Baell, PhD
inferred← citeshttps://doi.org/10.1089/adt.2016.708openalex-snapshot
Identification of Drug-Like Inhibitors of Insulin-Regulated Aminopeptidase Through Small-Molecule Screening
inferred← citeshttps://doi.org/10.1091/mbc.e25-05-0228openalex-snapshot
Vimentin cytoskeleton collapses in response to the small-molecule inhibitor of FH2 domains (SMIFH2)-induced electrophilic stress
inferred← citeshttps://doi.org/10.1091/mbc.e25-05-0264openalex-snapshot
Please inhibit responsibly: Natural and synthetic actin toxins as useful tools in cell biology
inferred← citeshttps://doi.org/10.1093/biohorizons/hzy015openalex-snapshot
Biophysical screening in fragment-based drug design: a brief overview
inferred← citeshttps://doi.org/10.1093/femsre/fuz016openalex-snapshot
Cell wall peptidoglycan inMycobacterium tuberculosis: An Achilles’ heel for the TB-causing pathogen
inferred← citeshttps://doi.org/10.1101/2022.03.10.483826openalex-snapshot
Alterations to the broad-spectrum formin inhibitor SMIFH2 improve potency
inferred← citeshttps://doi.org/10.1111/cbdd.12941openalex-snapshot
Molecular basis for covalent inhibition of glyceraldehyde‐3‐phosphate dehydrogenase by a 2‐phenoxy‐1,4‐naphthoquinone small molecule
inferred← citeshttps://doi.org/10.1111/cbdd.14163openalex-snapshot
Rhodanine derivatives: An insight into the synthetic and medicinal perspectives as antimicrobial and antiviral agents
inferred← citeshttps://doi.org/10.1111/gtc.12873openalex-snapshot
Differential effects of the formin inhibitor SMIFH2 on contractility and Ca2+ handling in frog and mouse cardiomyocytes
inferred← citeshttps://doi.org/10.1124/mol.114.093070openalex-snapshot
Identification and Characterization of Novel Inhibitors of Mammalian Aspartyl Aminopeptidase
inferred← citeshttps://doi.org/10.1128/9781555819569.ch15openalex-snapshot
Targeting Phenotypically TolerantMycobacterium tuberculosis
inferred← citeshttps://doi.org/10.1128/aac.00300-21openalex-snapshot
RNase P Inhibitors Identified as Aggregators
inferred← citeshttps://doi.org/10.1128/aac.00800-16openalex-snapshot
Discovery and Analysis of Natural-Product Compounds Inhibiting Protein Synthesis in Pseudomonas aeruginosa
inferred← citeshttps://doi.org/10.1128/microbiolspec.tbtb2-0031-2016openalex-snapshot
Targeting Phenotypically Tolerant Mycobacterium tuberculosis
inferred← citeshttps://doi.org/10.1158/0008-5472.can-16-0061openalex-snapshot
The Small Molecule IMR-1 Inhibits the Notch Transcriptional Activation Complex to Suppress Tumorigenesis
inferred← citeshttps://doi.org/10.11606/d.76.2021.tde-03092021-113747openalex-snapshot
Descoberta de candidatos antivirais baseados na enzima NS5 RNA polimerase RNA-dependente do vírus da febre amarela
inferred← citeshttps://doi.org/10.1177/1087057111421631openalex-snapshot
An Efficient High-Throughput Screening Method for MYST Family Acetyltransferases, a New Class of Epigenetic Drug Targets
inferred← citeshttps://doi.org/10.1177/1087057114525852openalex-snapshot
Identification of Potent and Selective Inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PfM18AAP) of Human Malaria via High-Throughput Screening
inferred← citeshttps://doi.org/10.1177/1087057114546550openalex-snapshot
High-Throughput Screening of Human Leukemia Xenografts to Identify Dexamethasone Sensitizers
inferred← citeshttps://doi.org/10.1177/1934578x1601100525openalex-snapshot
Why Polyphenols have Promiscuous Actions? An Investigation by Chemical Bioinformatics
inferred← citeshttps://doi.org/10.1177/2472555218803696openalex-snapshot
Design of the LifeArc Index Set and Retrospective Review of Its Performance: A Collection for Sharing
inferred← citeshttps://doi.org/10.1177/2472555218820809openalex-snapshot
The Scripps Molecular Screening Center and Translational Research Institute
inferred← citeshttps://doi.org/10.1194/jlr.ra119000592openalex-snapshot
A novel GPER antagonist protects against the formation of estrogen-induced cholesterol gallstones in female mice
inferred← citeshttps://doi.org/10.1242/jcs.253708openalex-snapshot
The formin inhibitor SMIFH2 inhibits members of the myosin superfamily
inferred← citeshttps://doi.org/10.1371/journal.pone.0078877openalex-snapshot
A Cell-Free Fluorometric High-Throughput Screen for Inhibitors of Rtt109-Catalyzed Histone Acetylation
inferred← citeshttps://doi.org/10.1371/journal.pone.0096054openalex-snapshot
Lifting the Mask: Identification of New Small Molecule Inhibitors of Uropathogenic Escherichia coli Group 2 Capsule Biogenesis
inferred← citeshttps://doi.org/10.1371/journal.pone.0137298openalex-snapshot
High-Throughput Screening for Ligands of the HEPN Domain of Sacsin
inferred← citeshttps://doi.org/10.1515/psr-2019-0098openalex-snapshot
A computer-based approach for developing linamarase inhibitory agents
inferred← citeshttps://doi.org/10.1517/17460441.2012.688743openalex-snapshot
Rhodanine as a scaffold in drug discovery: a critical review of its biological activities and mechanisms of target modulation
inferred← citeshttps://doi.org/10.1517/17460441.2015.1059816openalex-snapshot
Academic drug discovery: current status and prospects
inferred← citeshttps://doi.org/10.1517/17460441.2016.1128892openalex-snapshot
Non-stoichiometric inhibition in integrated lead finding – a literature review
inferred← citeshttps://doi.org/10.20883/medical.406openalex-snapshot
Drug design: 4-thiazolidinones applications. Part 1. Synthetic routes to the drug-like molecules
inferred← citeshttps://doi.org/10.2174/09298673113209990001openalex-snapshot
Virtual Screening Strategies in Drug Discovery: A Critical Review
inferred← citeshttps://doi.org/10.2174/1570163812666150120154701openalex-snapshot
High Throughput Screen Identifies Natural Product Inhibitor of Phenylalanyl-tRNA Synthetase from Pseudomonas aeruginosa and Streptococcus pneumoniae
inferred← citeshttps://doi.org/10.3109/10409238.2014.978975openalex-snapshot
Histone-modifying enzymes, histone modifications and histone chaperones in nucleosome assembly: Lessons learned from Rtt109 histone acetyltransferases
inferred← citeshttps://doi.org/10.3389/fmolb.2021.599221openalex-snapshot
Identification of Potential Binders of Mtb Universal Stress Protein (Rv1636) Through an in silico Approach and Insights Into Compound Selection for Experimental Validation
inferred← citeshttps://doi.org/10.3389/fphar.2025.1598978openalex-snapshot
Research progress on the anti-cancer mechanisms of edible salty-flavored Chinese materia medica
inferred← citeshttps://doi.org/10.3389/fphar.2026.1817679openalex-snapshot
Assessing biological activities of polyphenols in the context of 4R – challenges of a ubiquitous compound class with complex modes of action
inferred← citeshttps://doi.org/10.3390/biology3010101openalex-snapshot
High-Throughput Screen of Natural Product Libraries for Hsp90 Inhibitors
inferred← citeshttps://doi.org/10.3390/ijms24109058openalex-snapshot
Investigating Mammalian Formins with SMIFH2 Fifteen Years in: Novel Targets and Unexpected Biology
inferred← citeshttps://doi.org/10.3390/m1059openalex-snapshot
5-[(Z)-5-Chloro-2-oxoindolin-3-ylidene]-3-{(E)-[(4-hydroxyphenyl)imino]methyl}-2-thioxothiazolidin-4-one
inferred← citeshttps://doi.org/10.3390/molecules23030567openalex-snapshot
Identification and Characterizations of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Scaffold Hopping- and 2D-Molecular Fingerprint-Based Similarity Search
inferred← citeshttps://doi.org/10.3390/molecules28031276openalex-snapshot
Drugging the Undruggable Trypanosoma brucei Monothiol Glutaredoxin 1
inferred← citeshttps://doi.org/10.3390/molecules28093851openalex-snapshot
New Hybrid Tetrahydropyrrolo[3,2,1-ij]quinolin-1-ylidene-2-thioxothiazolidin-4-ones as New Inhibitors of Factor Xa and Factor XIa: Design, Synthesis, and In Silico and Experimental Evaluation
inferred← citeshttps://doi.org/10.3390/ph13090229openalex-snapshot
3-Amino-5-(indol-3-yl)methylene-4-oxo-2-thioxothiazolidine Derivatives as Antimicrobial Agents: Synthesis, Computational and Biological Evaluation
inferred← citeshttps://doi.org/10.3390/ph14111164openalex-snapshot
The Fellowship of Privileged Scaffolds—One Structure to Inhibit Them All
inferred← citeshttps://doi.org/10.3390/ph18020273openalex-snapshot
Identification of Furin Protease Small-Molecule Inhibitor with a 1,3-Thiazol-2-ylaminosulfonyl Scaffold
inferred← citeshttps://doi.org/10.3410/f.727366885.793566044openalex-snapshot
Faculty Opinions recommendation of Targeting Phenotypically Tolerant Mycobacterium tuberculosis.
inferred← citeshttps://doi.org/10.4155/fmc-2016-0151openalex-snapshot
Histone Acetyltransferase Inhibitors: Where Art Thou?
inferred← citeshttps://doi.org/10.4155/fmc-2019-0212openalex-snapshot
Action Plan for Hit Identification (APHID): KAT6A As a Case Study
inferred← citeshttps://doi.org/10.4155/fmc-2020-0047openalex-snapshot
MOZ/KAT6A: a Promising Target for Acute Myeloid Leukemia Therapy
inferred← citeshttps://doi.org/10.4155/fmc.11.15openalex-snapshot
Recent Trends and Observations in the Design of High-Quality Screening Collections
inferred← citeshttps://doi.org/10.4155/fmc.11.44openalex-snapshot
Growing PAINS in Academic Drug Discovery
inferred← citeshttps://doi.org/10.4155/fmc.12.55openalex-snapshot
Guiding Principles for Natural Product Drug Discovery
inferred← citeshttps://doi.org/10.4155/fmc.13.162openalex-snapshot
Drug Discovery and Human African Trypanosomiasis: A Disease Less Neglected?
inferred← citeshttps://doi.org/10.4155/fmc.14.169openalex-snapshot
Targeting Cell Death Pathways with Small Molecules: Playing with Life and Death at the Cellular Level to Treat Diseases
inferred← citeshttps://doi.org/10.4155/fmc.14.60openalex-snapshot
The Essential Roles of Chemistry in High-Throughput Screening Triage
inferred← citeshttps://doi.org/10.4155/fmc.14.72openalex-snapshot
Quantification of Frequent-Hitter Behavior Based on Historical High-Throughput Screening Data
inferred← citeshttps://doi.org/10.5772/62835openalex-snapshot
Recent Advances in the Biological Importance of Rhodanine Derivatives
inferred← citeshttps://doi.org/10.64628/aai.g34wqc47copenalex-snapshot
Discovering new drugs is a long and expensive process – chemical compounds that dupe screening tools make it even harder
inferred← citeshttps://doi.org/10.70675/188dca62z7698z4e25z960bz315df7f39c28openalex-snapshot
Étude de la fonctionnalisation de 5-benzylidènethiazolidine-2,4-diones et application à la synthèse de nouveaux composés à visée anticancéreuse
inferred← citeshttps://doi.org/10.7150/thno.31951openalex-snapshot
Identification of a rhodanine derivative BML-260 as a potent stimulator of UCP1 expression
inferred← citeshttps://doi.org/10.82308/32764openalex-snapshot
Structural studies of sacsin: a protein implicated in the neurodegenerative disease ARSACS
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