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Ring systems in natural products: structural diversity, physicochemical properties, and coverage by synthetic compounds

https://doi.org/10.1039/d2np00001f
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What this work says

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

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From Complex Natural Products to Simple Synthetic Mimetics by Computational De Novo Design
inferredcites →https://doi.org/10.1002/cmdc.200900469openalex-snapshot
From Machine Learning to Natural Product Derivatives that Selectively Activate Transcription Factor PPARγ
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Cheminformatics Analysis of Natural Product Scaffolds: Comparison of Scaffolds Produced by Animals, Plants, Fungi and Bacteria
inferredcites →https://doi.org/10.1002/minf.202000050openalex-snapshot
A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization
inferredcites →https://doi.org/10.1002/minf.202000171openalex-snapshot
Cheminformatics in Natural Product‐based Drug Discovery
inferredcites →https://doi.org/10.1007/978-3-030-14632-0_5openalex-snapshot
Cheminformatic Analysis of Natural Product Fragments
inferredcites →https://doi.org/10.1007/978-3-7643-8595-8_4openalex-snapshot
Cheminformatics analysis of natural products: Lessons from nature inspiring the design of new drugs
inferredcites →https://doi.org/10.1016/j.biotechadv.2015.08.001openalex-snapshot
Discovery and resupply of pharmacologically active plant-derived natural products: A review
inferredcites →https://doi.org/10.1016/j.bmc.2011.09.039openalex-snapshot
Pharmacophore-based discovery of FXR-agonists. Part II: Identification of bioactive triterpenes from Ganoderma lucidum
inferredcites →https://doi.org/10.1016/j.bmc.2021.116562openalex-snapshot
Substituents of life: The most common substituent patterns present in natural products
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/10.1021/acs.jcim.0c00675openalex-snapshot
ZINC20─A Free Ultralarge-Scale Chemical Database for Ligand Discovery
inferredcites →https://doi.org/10.1021/acs.jcim.1c00761openalex-snapshot
Magic Rings: Navigation in the Ring Chemical Space Guided by the Bioactive Rings
inferredcites →https://doi.org/10.1021/acs.jcim.7b00341openalex-snapshot
Data Resources for the Computer-Guided Discovery of Bioactive Natural Products
inferredcites →https://doi.org/10.1021/acs.jcim.8b00302openalex-snapshot
Characterization of the Chemical Space of Known and Readily Obtainable Natural Products
inferredcites →https://doi.org/10.1021/acs.jmedchem.9b01919openalex-snapshot
“Ring Breaker”: Neural Network Driven Synthesis Prediction of the Ring System Chemical Space
inferredcites →https://doi.org/10.1021/acs.jnatprod.9b01285openalex-snapshot
Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019
inferredcites →https://doi.org/10.1021/cc000097lopenalex-snapshot
Scaffold Architecture and Pharmacophoric Properties of Natural Products and Trade Drugs: Application in the Design of Natural Product-Based Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci500405gopenalex-snapshot
A Virtual Screening Approach For Identifying Plants with Anti H5N1 Neuraminidase Activity
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/jm060217popenalex-snapshot
Quest for the Rings. In Silico Exploration of Ring Universe To Identify Novel Bioactive Heteroaromatic Scaffolds
inferredcites →https://doi.org/10.1021/jm0603365openalex-snapshot
Comparison of Shape-Matching and Docking as Virtual Screening Tools
inferredcites →https://doi.org/10.1021/jm1012374openalex-snapshot
Macrocycles Are Great Cycles: Applications, Opportunities, and Challenges of Synthetic Macrocycles in Drug Discovery
inferredcites →https://doi.org/10.1021/jm4017625openalex-snapshot
Rings in Drugs
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
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/10.1038/nchem.2479openalex-snapshot
Counting on natural products for drug design
inferredcites →https://doi.org/10.1038/nchembio.180openalex-snapshot
Quantifying biogenic bias in screening libraries
inferredcites →https://doi.org/10.1038/nrd4510openalex-snapshot
The re-emergence of natural products for drug discovery in the genomics era
inferredcites →https://doi.org/10.1038/s41557-019-0230-0openalex-snapshot
Simplified immunosuppressive and neuroprotective agents based on gracilin A
inferredcites →https://doi.org/10.1038/s41557-019-0411-xopenalex-snapshot
Principle and design of pseudo-natural products
inferredcites →https://doi.org/10.1039/b715668popenalex-snapshot
Scaffold diversity of natural products: inspiration for combinatorial library design
inferredcites →https://doi.org/10.1039/c2md00238hopenalex-snapshot
A comparative analysis of the molecular topologies for drugs, clinical candidates, natural products, human metabolites and general bioactive compounds
inferredcites →https://doi.org/10.1039/c7ob02193copenalex-snapshot
Harnessing the potential of natural products in drug discovery from a cheminformatics vantage point
inferredcites →https://doi.org/10.1039/d0np00048eopenalex-snapshot
Bridging the gap between natural product synthesis and drug discovery
inferredcites →https://doi.org/10.1039/d1np00039jopenalex-snapshot
Cheminformatic analysis of natural product-based drugs and chemical probes
inferredcites →https://doi.org/10.1039/d1sc04471kopenalex-snapshot
Natural product drug discovery in the artificial intelligence era
inferredcites →https://doi.org/10.1042/bcj20160619openalex-snapshot
Macrocycles as protein–protein interaction inhibitors
inferredcites →https://doi.org/10.1055/s-0035-1545881openalex-snapshot
Unique Macrocycles in the Taiwan Traditional Chinese Medicine Database
inferredcites →https://doi.org/10.1073/pnas.0503647102openalex-snapshot
Charting biologically relevant chemical space: A structural classification of natural products (SCONP)
inferredcites →https://doi.org/10.1073/pnas.1015269108openalex-snapshot
Biology-oriented synthesis of a natural-product inspired oxepane collection yields a small-molecule activator of the Wnt-pathway
inferredcites →https://doi.org/10.1093/nar/gkx1037openalex-snapshot
DrugBank 5.0: a major update to the DrugBank database for 2018
inferredcites →https://doi.org/10.1111/cbdd.12260openalex-snapshot
Two‐ and Three‐dimensional Rings in Drugs
inferredcites →https://doi.org/10.1186/s13321-020-00478-9openalex-snapshot
COCONUT online: Collection of Open Natural Products database
inferredcites →https://doi.org/10.1371/journal.pone.0015939openalex-snapshot
TCM Database@Taiwan: The World's Largest Traditional Chinese Medicine Database for Drug Screening In Silico
inferredcites →https://doi.org/10.1371/journal.pone.0062839openalex-snapshot
Use of Natural Products as Chemical Library for Drug Discovery and Network Pharmacology
inferredcites →https://doi.org/10.2533/chimia.2017.678openalex-snapshot
Design, Properties and Recent Application of Macrocycles in Medicinal Chemistry
inferredcites →https://doi.org/10.3390/biom9020043openalex-snapshot
NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules
inferredcites →https://doi.org/10.4155/fmc.10.292openalex-snapshot
Novel Neuraminidase Inhibitors: Identification, Biological Evaluation and Investigations of the Binding Mode

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Highly Enantio‐ and Diastereoselective Synthesis of Tetrahydrofuran Frameworks via Chiral Lewis Acid‐Catalyzed Formal [3+2] Cycloaddition of Allylsilanes
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