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Chemoinformatic Expedition of the Chemical Space of Fungal Products
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9781118742785openalex-snapshot
Chemoinformatics for Drug Discovery
inferredcites →https://doi.org/10.1002/ejoc.201402984openalex-snapshot
Biosynthetically Distinct Cytotoxic Polyketides from Setophoma terrestris
inferredcites →https://doi.org/10.1002/mrc.4254openalex-snapshot
New diketopiperazine dimer from a filamentous fungal isolate of Aspergillus sydowii
inferredcites →https://doi.org/10.1002/psc.2425openalex-snapshot
Peptaibols from two unidentified fungi of the order Hypocreales with cytotoxic, antibiotic, and anthelmintic activities
inferredcites →https://doi.org/10.1016/b978-0-12-800874-4.00021-0openalex-snapshot
Discovery and Development of Lead Compounds from Natural Sources Using Computational Approaches
inferredcites →https://doi.org/10.1016/j.bmcl.2015.07.014openalex-snapshot
Cheminformatic comparison of approved drugs from natural product versus synthetic origins
inferredcites →https://doi.org/10.1016/j.cbpa.2008.03.016openalex-snapshot
The impact of natural products upon modern drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2012.04.001openalex-snapshot
Expanding the medicinally relevant chemical space with compound libraries
inferredcites →https://doi.org/10.1016/j.tet.2015.09.073openalex-snapshot
Spiroscytalin, a new tetramic acid and other metabolites of mixed biogenesis from Scytalidium cuboideum
inferredcites →https://doi.org/10.1016/j.tetlet.2011.07.102openalex-snapshot
Obionin B: an o-pyranonaphthoquinone decaketide from an unidentified fungus (MSX 63619) from the order Pleosporales
inferredcites →https://doi.org/10.1016/j.tetlet.2011.08.125openalex-snapshot
Thielavin B methyl ester: a cytotoxic benzoate trimer from an unidentified fungus (MSX 55526) from the Order Sordariales
inferredcites →https://doi.org/10.1016/j.tetlet.2013.06.008openalex-snapshot
Waol A, trans-dihydrowaol A, and cis-dihydrowaol A: polyketide-derived γ-lactones from a Volutella species
inferredcites →https://doi.org/10.1016/j.tox.2006.01.012openalex-snapshot
The importance of GRAS to the functional food and nutraceutical industries
inferredcites →https://doi.org/10.1021/acs.jcim.5b00116openalex-snapshot
The Purchasable Chemical Space: A Detailed Picture
inferredcites →https://doi.org/10.1021/acs.jcim.5b00723openalex-snapshot
An Additive Definition of Molecular Complexity
inferredcites →https://doi.org/10.1021/acs.jnatprod.5b01055openalex-snapshot
Natural Products as Sources of New Drugs from 1981 to 2014
inferredcites →https://doi.org/10.1021/ci0200467openalex-snapshot
Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/ci0501387openalex-snapshot
Rapid Evaluation of Synthetic and Molecular Complexity for in Silico Chemistry
inferredcites →https://doi.org/10.1021/ci500588jopenalex-snapshot
DataWarrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis
inferredcites →https://doi.org/10.1021/ci800426uopenalex-snapshot
Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository
inferredcites →https://doi.org/10.1021/jm901241eopenalex-snapshot
Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
inferredcites →https://doi.org/10.1021/ml300105sopenalex-snapshot
Chemical Diversity of Metabolites from Fungi, Cyanobacteria, and Plants Relative to FDA-Approved Anticancer Agents
inferredcites →https://doi.org/10.1021/np2000528openalex-snapshot
Fingolimod (FTY720): A Recently Approved Multiple Sclerosis Drug Based on a Fungal Secondary Metabolite
inferredcites →https://doi.org/10.1021/np200062xopenalex-snapshot
Resorcylic Acid Lactones with Cytotoxic and NF-κB Inhibitory Activities and Their Structure–Activity Relationships
inferredcites →https://doi.org/10.1021/np2004243openalex-snapshot
Cyclodepsipeptides, Sesquiterpenoids, and Other Cytotoxic Metabolites from the Filamentous Fungus Trichothecium sp. (MSX 51320)
inferredcites →https://doi.org/10.1021/np300749wopenalex-snapshot
Benzoquinones and Terphenyl Compounds As Phosphodiesterase-4B Inhibitors from a Fungus of the Order Chaetothyriales (MSX 47445)
inferredcites →https://doi.org/10.1021/np3008842openalex-snapshot
Peptaibols, Tetramic Acid Derivatives, Isocoumarins, and Sesquiterpenes from a Bionectria sp. (MSX 47401)
inferredcites →https://doi.org/10.1021/np4004307openalex-snapshot
High-Resolution MS, MS/MS, and UV Database of Fungal Secondary Metabolites as a Dereplication Protocol for Bioactive Natural Products
inferredcites →https://doi.org/10.1038/ja.2010.77openalex-snapshot
Dereplication of macrocyclic trichothecenes from extracts of filamentous fungi through UV and NMR profiles
inferredcites →https://doi.org/10.1038/ja.2011.95openalex-snapshot
Cytotoxic xanthone–anthraquinone heterodimers from an unidentified fungus of the order Hypocreales (MSX 17022)
inferredcites →https://doi.org/10.1038/ja.2012.69openalex-snapshot
Cytotoxic epipolythiodioxopiperazine alkaloids from filamentous fungi of the Bionectriaceae
inferredcites →https://doi.org/10.1038/ja.2012.71openalex-snapshot
Revisiting the enniatins: a review of their isolation, biosynthesis, structure determination and biological activities
inferredcites →https://doi.org/10.1038/ja.2014.125openalex-snapshot
Sorbicillinoid analogs with cytotoxic and selective anti-Aspergillus activities from Scytalidium album
inferredcites →https://doi.org/10.1038/nbt0603-602openalex-snapshot
Putting nature back into drug discovery
inferredcites →https://doi.org/10.1039/c5ra19611fopenalex-snapshot
Epigenetic relevant chemical space: a chemoinformatic characterization of inhibitors of DNA methyltransferases
inferredcites →https://doi.org/10.1073/pnas.1012741107openalex-snapshot
Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles
inferredcites →https://doi.org/10.1093/nar/gkr797openalex-snapshot
Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery
inferredcites →https://doi.org/10.1093/nar/gkt1068openalex-snapshot
DrugBank 4.0: shedding new light on drug metabolism
inferredcites →https://doi.org/10.1111/cbdd.12011openalex-snapshot
Molecular Scaffold Analysis of Natural Products Databases in the Public Domain
inferredcites →https://doi.org/10.1111/j.1742-7843.2005.pto960303.xopenalex-snapshot
In silico Predictions of Drug Solubility and Permeability: Two Rate‐limiting Barriers to Oral Drug Absorption
inferredcites →https://doi.org/10.1158/1535-7163.mct-08-0095openalex-snapshot
Inhibition of centromere dynamics by eribulin (E7389) during mitotic metaphase
inferredcites →https://doi.org/10.1371/journal.pone.0050798openalex-snapshot
Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products
inferredcites →https://doi.org/10.1517/17460441.2014.872624openalex-snapshot
Balancing novelty with confined chemical space in modern drug discovery
inferredcites →https://doi.org/10.5169/seals-266450openalex-snapshot
Étude comparative de la distribution florale dans une portion des Alpes et du Jura
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Three diketomorpholines from a Penicillium sp. (strain G1071)
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inferred← citeshttps://doi.org/10.1002/pca.3513openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-030-14632-0_1openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-030-19030-9_18openalex-snapshot
Bioactive Compounds from Extremophilic Marine Fungi
inferred← citeshttps://doi.org/10.1007/s10295-018-2083-8openalex-snapshot
Media studies to enhance the production of verticillins facilitated by in situ chemical analysis
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Cheminformatic characterization of natural products from Panama
inferred← citeshttps://doi.org/10.1007/s11557-017-1282-4openalex-snapshot
Additions to Lindgomyces (Lindgomycetaceae, Pleosporales, Dothideomycetes), including two new species occurring on submerged wood from North Carolina, USA, with notes on secondary metabolite profiles
inferred← citeshttps://doi.org/10.1007/s43450-023-00417-3openalex-snapshot
Ants/Nest-Associated Fungi and Their Specialized Metabolites: Taxonomy, Chemistry, and Bioactivity
inferred← citeshttps://doi.org/10.1016/b978-0-12-816125-8.00002-xopenalex-snapshot
Computational Drug Design Methods—Current and Future Perspectives
inferred← citeshttps://doi.org/10.1016/b978-0-323-95927-8.00017-7openalex-snapshot
Modeling cannabis and Catha edulis bioactives and derivatives: insights from computational and theoretical predictions
inferred← citeshttps://doi.org/10.1016/j.bmc.2017.07.041openalex-snapshot
Chemoselective fluorination and chemoinformatic analysis of griseofulvin: Natural vs fluorinated fungal metabolites
inferred← citeshttps://doi.org/10.1016/j.drudis.2016.08.009openalex-snapshot
The many roles of molecular complexity in drug discovery
inferred← citeshttps://doi.org/10.1016/j.drudis.2018.11.013openalex-snapshot
Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein–protein interaction inhibitors
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2023.162263openalex-snapshot
Identification of activity cliffs in structure-activity landscape of androgen receptor binding chemicals
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Finding the Missing Property Concepts in Pesticide-Likeness
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00619openalex-snapshot
Chemical Space and Diversity of the NuBBE Database: A Chemoinformatic Characterization
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c01101openalex-snapshot
Oxetanes in Drug Discovery Campaigns
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.0c00856openalex-snapshot
Cytotoxic Naphthoquinone Analogues, Including Heterodimers, and Their Structure Elucidation Using LR-HSQMBC NMR Experiments
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.0c01309openalex-snapshot
Opportunities and Limitations for Assigning Relative Configurations of Antibacterial Bislactones using GIAO NMR Shift Calculations
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.2c00036openalex-snapshot
Discovery of Anticancer Agents of Diverse Natural Origin
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Biosynthesis of Fluorinated Peptaibols Using a Site-Directed Building Block Incorporation Approach
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Investigating and Quantifying Molecular Complexity Using Assembly Theory and Spectroscopy
inferred← citeshttps://doi.org/10.1021/acsomega.2c06428openalex-snapshot
Scaffold and Structural Diversity of the Secondary Metabolite Space of Medicinal Fungi
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Diversity and Chemical Space Characterization of Inhibitors of the Epigenetic Target G9a: A Chemoinformatics Approach
inferred← citeshttps://doi.org/10.1021/acsomega.9b00532openalex-snapshot
Chemical Diversity of Cyanobacterial Compounds: A Chemoinformatics Analysis
inferred← citeshttps://doi.org/10.1038/s41429-023-00655-6openalex-snapshot
Sheptide A: an antimalarial cyclic pentapeptide from a fungal strain in the Herpotrichiellaceae
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Bicyclic acetals: biological relevance, scaffold analysis, and applications in diversity-oriented synthesis
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Consensus Diversity Plots: a global diversity analysis of chemical libraries
inferred← citeshttps://doi.org/10.1186/s13321-017-0195-1openalex-snapshot
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inferred← citeshttps://doi.org/10.12688/f1000research.11221.1openalex-snapshot
Screening and identification of novel biologically active natural compounds
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Analysis of a large food chemical database: chemical space, diversity, and complexity
inferred← citeshttps://doi.org/10.12688/f1000research.15440.2openalex-snapshot
Analysis of a large food chemical database: chemical space, diversity, and complexity
inferred← citeshttps://doi.org/10.1515/psr-2018-0103openalex-snapshot
Chemical space of naturally occurring compounds
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Structure-Based Docking Studies of GLUT4 Towards Exploring Selected Phytochemicals from Solanum xanthocarpum as a Therapeutic Target for the Treatment of Cancer
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Toxicity Assessment of Structurally Relevant Natural Products from Mexican Plants with Antinociceptive Activity
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Finding Constellations in Chemical Space Through Core Analysis
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Scaffold Diversity of Fungal Metabolites
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FragNet, a Contrastive Learning-Based Transformer Model for Clustering, Interpreting, Visualizing, and Navigating Chemical Space
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Chemoinformatic Approach: The Case of Natural Products of Panama
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