ArticleBiomolecules2020
Fragment Library of Natural Products and Compound Databases for Drug Discovery.
Article in Biomolecules, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- CRUSH-Cleavage Rules Using SMIRKS Heuristics: an enhanced molecular fragmentation algorithm.Journal of cheminformatics · 2026Article
- Fragment Libraries from Large and Novel Synthetic Compounds and Natural Products: A Comparative Chemoinformatic Analysis.ACS omega · 2025Article
- NPDBEjeCol: A Natural Products Database from Colombia.ACS omega · 2025Article
- One-Stage Pathway from Hollongdione to C17-Alkyne and Vinyl Chloride Following Mannich Bases and Carboxylic Acid.International journal of molecular sciences · 2024Article
- Chemical Multiverse and Diversity of Food Chemicals.Journal of chemical information and modeling · 2024Article
- Integrating natural product research laboratory with artificial intelligence: Advancements and breakthroughs in traditional medicine.BioMedicine · 2024Review
- Progress and Impact of Latin American Natural Product Databases.Biomolecules · 2022Review
- Natural product drug discovery in the artificial intelligence era.Chemical science · 2022Review
- AnArtificial intelligence in the life sciences · 2021Article
- Towards the De Novo Design of HIV-1 Protease Inhibitors Based on Natural Products.Biomolecules · 2021Article
- Review
- Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop.Journal of cheminformatics · 2021Article
- Latin American databases of natural products: biodiversity and drug discovery against SARS-CoV-2.RSC advances · 2021Article
- Natural and Nature-Derived Products Targeting Human Coronaviruses.Molecules (Basel, Switzerland) · 2021Review
- COCONUT online: Collection of Open Natural Products database.Journal of cheminformatics · 2021Article
- Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products.Frontiers in chemistry · 2021Review
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
Natural products and semi-synthetic compounds continue to be a significant source of drug candidates for a broad range of diseases, including coronavirus disease 2019 (COVID-19), which is causing the current pandemic. Besides being attractive sources of bioactive compounds for further development or optimization, natural products are excellent substrates of unique substructures for fragment-based drug discovery. To this end, fragment libraries should be incorporated into automated drug design pipelines. However, public fragment libraries based on extensive collections of natural products are still limited. Herein, we report the generation and analysis of a fragment library of natural products derived from a database with more than 400,000 compounds. We also report fragment libraries of a large food chemical database and other compound datasets of interest in drug discovery, including compound libraries relevant for COVID-19 drug discovery. The fragment libraries were characterized in terms of content and diversity.
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Registered trials
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.