ArticleProceedings of the National Academy of Sciences of the United States of America2005
Charting biologically relevant chemical space: a structural classification of natural products (SCONP).
Article in Proceedings of the National Academy of Sciences of the United States of America, 2005. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 107 papers.
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Who cites it
107 citing papers in PubMed, 551 citations in OpenAlex.
- Pseudonatural Products for Chemical Biology and Drug Discovery.Journal of medicinal chemistry · 2025Review
- Article
- Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space.Molecular diversity · 2024Article
- Targeted sampling of natural product space to identify bioactive natural product-like polyketide macrolides.Nature communications · 2024Article
- Medicinal Chemistry Strategies for the Modification of Bioactive Natural Products.Molecules (Basel, Switzerland) · 2024Review
- Challenges in natural product-based drug discovery assisted withRSC advances · 2023Review
- Fluorescence lifetime FRET assay for live-cell high-throughput screening of the cardiac SERCA pump yields multiple classes of small-molecule allosteric modulators.Scientific reports · 2023Article
- Scaffold Remodelling of Diazaspirotricycles Enables Synthesis of Diverse spChemistry (Weinheim an der Bergstrasse, Germany) · 2023Article
- FRET assay for live-cell high-throughput screening of the cardiac SERCA pump yields multiple classes of small-molecule allosteric modulators.Research square · 2023Article
- Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs.Marine drugs · 2023Review
- MORTAR: a rich client application for in silico molecule fragmentation.Journal of cheminformatics · 2023Article
- Navigating bioactivity space in anti-tubercular drug discovery through the deployment of advanced machine learning models and cheminformatics tools: a molecular modeling based retrospective study.Frontiers in pharmacology · 2023Review
- MS/MS-Based Molecular Networking: An Efficient Approach for Natural Products Dereplication.Molecules (Basel, Switzerland) · 2022Review
- The Time and Place for Nature in Drug Discovery.JACS Au · 2022Review
- Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK).Journal of cheminformatics · 2022Article
- Chemical Evolution of Natural Product Structure.Journal of the American Chemical Society · 2022Article
- Natural product drug discovery in the artificial intelligence era.Chemical science · 2022Review
- NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products.Journal of natural products · 2021Article
- Automatic Identification of Analogue Series from Large Compound Data Sets: Methods and Applications.Molecules (Basel, Switzerland) · 2021Review
- Pseudo Natural Products-Chemical Evolution of Natural Product Structure.Angewandte Chemie (International ed. in English) · 2021Review
47 more citing papers are in PubMed but not listed here.
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Authors and funding
8 authors at 4 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The identification of small molecules that fall within the biologically relevant subfraction of vast chemical space is of utmost importance to chemical biology and medicinal chemistry research. The prerequirement of biological relevance to be met by such molecules is fulfilled by natural product-derived compound collections. We report a structural classification of natural products (SCONP) as organizing principle for charting the known chemical space explored by nature. SCONP arranges the scaffolds of the natural products in a tree-like fashion and provides a viable analysis- and hypothesis-generating tool for the design of natural product-derived compound collections. The validity of the approach is demonstrated in the development of a previously undescribed class of selective and potent inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 with activity in cells guided by SCONP and protein structure similarity clustering. 11beta-hydroxysteroid dehydrogenase type 1 is a target in the development of new therapies for the treatment of diabetes, the metabolic syndrome, and obesity.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.