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PAINS: Relevance to Tool Compound Discovery and Fragment-Based Screening

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Dynamic acetylation of all lysine-4 trimethylated histone H3 is evolutionarily conserved and mediated by p300/CBP
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5-Arylidene 1,3-dimethylbarbiturric acid derivatives, mild organic oxidants for allylic and benzylic alcohols.
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Rhodanine as a Privileged Scaffold in Drug Discovery
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Observations on Screening-Based Research and Some Concerning Trends in the Literature

What points at this work

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

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Structural insight into TNF-α inhibitors through combining pharmacophore-based virtual screening and molecular dynamic simulation
inferred← citeshttps://doi.org/10.1080/07391102.2025.2507810openalex-snapshot
Pharmacophore modeling, 2D-QSAR, molecular docking and ADME studies for the discovery of inhibitors of PBP2a in MRSA
inferred← citeshttps://doi.org/10.1080/10409238.2018.1431606openalex-snapshot
Rce1: mechanism and inhibition
inferred← citeshttps://doi.org/10.1080/14756366.2023.2202362openalex-snapshot
Discovery of novel thiosemicarbazone derivatives with potent and selective anti- Candida glabrata activity
inferred← citeshttps://doi.org/10.1080/14786419.2025.2533422openalex-snapshot
Anti-tumour signalling pathways and molecular targets of 1,4-naphthoquinone-based natural dyes
inferred← citeshttps://doi.org/10.1089/adt.2016.29035.jbaopenalex-snapshot
Interview with Jonathan Baell, PhD
inferred← citeshttps://doi.org/10.1111/cbdd.12631openalex-snapshot
Considerations of Protein Subpockets in Fragment‐Based Drug Design
inferred← citeshttps://doi.org/10.1177/1087057115600413openalex-snapshot
High-Throughput Screening Strategy Identifies Allosteric, Covalent Human D-Amino Acid Oxidase Inhibitor
inferred← citeshttps://doi.org/10.1177/11779322241240651openalex-snapshot
Computer-Assisted Discovery of Salvia fruticosa Compounds With Schistosomicidal Activity
inferred← citeshttps://doi.org/10.1186/s12859-018-2387-8openalex-snapshot
Flexible docking-based molecular dynamics simulation of natural product compounds and Ebola virus Nucleocapsid (EBOV NP): a computational approach to discover new drug for combating Ebola
inferred← citeshttps://doi.org/10.1186/s13321-017-0213-3openalex-snapshot
Scaffold Hunter: a comprehensive visual analytics framework for drug discovery
inferred← citeshttps://doi.org/10.1371/journal.pone.0313830openalex-snapshot
Identification of novel cyclin-dependent kinase 4/6 inhibitors from marine natural products
inferred← citeshttps://doi.org/10.2174/0115701638267615231123160650openalex-snapshot
In Search of Novel SGLT2 Inhibitors by High-throughput Virtual Screening
inferred← citeshttps://doi.org/10.2174/1386207326666230705150110openalex-snapshot
Design and Diversity Analysis of Chemical Libraries in Drug Discovery
inferred← citeshttps://doi.org/10.25904/1912/738openalex-snapshot
Discovery of Antimalarial Natural Products Against Malarial Targets Using Bioaffinity Mass Spectrometry
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/fchem.2021.771143openalex-snapshot
Chagas Disease Drug Discovery in Latin America—A Mini Review of Antiparasitic Agents Explored Between 2010 and 2021
inferred← citeshttps://doi.org/10.4155/fmc.14.60openalex-snapshot
The Essential Roles of Chemistry in High-Throughput Screening Triage
inferred← citeshttps://doi.org/10.7124/bc.000a64openalex-snapshot
Synthesis and evaluation of biological activity of 1-[2-amino-4-methylthiazol-5-yl]-3-arylpropenones
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