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Scaffold Architecture and Pharmacophoric Properties of Natural Products and Trade Drugs: Application in the Design of Natural Product-Based Combinatorial Libraries
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1-Aryltetralin privileged structure-based libraries: parallel synthesis of N-aryl and N-biaryl γ-lactam lignans
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Building polycyclic indole scaffolds via gold(I)-catalyzed intra- and inter-molecular cyclization reactions of 1,6-enynes
inferred← citeshttps://doi.org/10.1016/j.tetlet.2004.05.008openalex-snapshot
A simple reaction to produce small structurally complex and diverse molecules
inferred← citeshttps://doi.org/10.1016/j.tetlet.2008.06.096openalex-snapshot
Achieving functional group diversity in parallel synthesis: solution-phase synthesis of a library of ureas, carbamates, thiocarbamates, and amides using carbamoylimidazolium salts
inferred← citeshttps://doi.org/10.1016/j.tetlet.2017.12.014openalex-snapshot
Chemoenzymatic total synthesis of cryptocaryalactone natural products
inferred← citeshttps://doi.org/10.1016/j.tim.2007.04.001openalex-snapshot
New aspects of natural products in drug discovery
inferred← citeshttps://doi.org/10.1016/j.tim.2007.10.004openalex-snapshot
Marine actinobacteria: new opportunities for natural product search and discovery
inferred← citeshttps://doi.org/10.1016/j.tube.2013.09.003openalex-snapshot
Why are membrane targets discovered by phenotypic screens and genome sequencing in Mycobacterium tuberculosis?
inferred← citeshttps://doi.org/10.1016/s0040-4020(02)00636-1openalex-snapshot
Separation of Cdc25 dual specificity phosphatase inhibition and DNA cleaving activities in a focused library of analogs of the antitumor antibiotic Dnacin
inferred← citeshttps://doi.org/10.1016/s0960-894x(02)00623-6openalex-snapshot
Solid-phase synthesis and bioevaluation of Lupeol-based libraries as antimalarial agents
inferred← citeshttps://doi.org/10.1016/s1359-6446(01)02090-6openalex-snapshot
Multi-component reactions and evolutionary chemistry
inferred← citeshttps://doi.org/10.1016/s1359-6446(05)03419-7openalex-snapshot
Protein structure similarity clustering and natural product structure as guiding principles in drug discovery
inferred← citeshttps://doi.org/10.1016/s1367-5931(02)00330-7openalex-snapshot
Combinatorial synthesis of natural products
inferred← citeshttps://doi.org/10.1016/s1367-5931(02)00338-1openalex-snapshot
Modern methods to produce natural-product libraries
inferred← citeshttps://doi.org/10.1016/s1367-5931(03)00057-7openalex-snapshot
Computational design strategies for combinatorial libraries
inferred← citeshttps://doi.org/10.1016/s1572-5995(03)80016-9openalex-snapshot
Generating and Screening a Natural Product Library for CYclooxygenase and Lipoxygenase Dual Inhibitors
inferred← citeshttps://doi.org/10.1016/s1874-6004(08)80013-5openalex-snapshot
Chapter 9 Rhodium-catalyzed cycloisomerization reactions of allenes in diversity-oriented synthesis
inferred← citeshttps://doi.org/10.1017/cbo9781139021500.010openalex-snapshot
Basics and Principles for Building Natural Product–based Libraries for HTS
inferred← citeshttps://doi.org/10.1021/acs.analchem.5c03958openalex-snapshot
MSformer: A Meta-Structure Based Interpretable Framework for Representation Learning of Natural Products
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.2c03134openalex-snapshot
Enriching Chemical Space of Bioactive Scaffolds by New Ring Systems: Benzazocines and Their Metal Complexes as Potential Anticancer Drugs
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c00641openalex-snapshot
Generative Deep Learning for de Novo Drug Design─A Chemical Space Odyssey
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00341openalex-snapshot
Data Resources for the Computer-Guided Discovery of Bioactive Natural Products
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00125openalex-snapshot
Cheminformatic Insight into the Differences between Terrestrial and Marine Originated Natural Products
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c01493openalex-snapshot
Tricyclic SpiroLactams Kill Mycobacteria In Vitro and In Vivo by Inhibiting Type II NADH Dehydrogenases
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b01476openalex-snapshot
Application of Negative Design To Design a More Desirable Virtual Screening Library
inferred← citeshttps://doi.org/10.1021/acs.joc.5b00800openalex-snapshot
Regioselective Cross-Couplings of Coumarins and Flavones with Ethers via C(sp3)–H Functionalization
inferred← citeshttps://doi.org/10.1021/acsomega.4c08366openalex-snapshot
Discovery of Novel Multiangiogenic Agents Targeting VEGFR2, EphB4, FGFR-1, and TIE-2: Receptor-Based Pharmacophore Modeling, Virtual Screening, and Molecular Modeling Studies
inferred← citeshttps://doi.org/10.1021/ar100106nopenalex-snapshot
Chemically Engineered Extracts: Source of Bioactive Compounds
inferred← citeshttps://doi.org/10.1021/cb100420ropenalex-snapshot
Rational Methods for the Selection of Diverse Screening Compounds
inferred← citeshttps://doi.org/10.1021/ci1002558openalex-snapshot
Molecular Topology Analysis of the Differences between Drugs, Clinical Candidate Compounds, and Bioactive Molecules
inferred← citeshttps://doi.org/10.1021/ci2000924openalex-snapshot
Mining for Bioactive Scaffolds with Scaffold Networks: Improved Compound Set Enrichment from Primary Screening Data
inferred← citeshttps://doi.org/10.1021/ci200439dopenalex-snapshot
Validating and Understanding Ring Conformations Using Small Molecule Crystallographic Data
inferred← citeshttps://doi.org/10.1021/ci200587hopenalex-snapshot
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties
inferred← citeshttps://doi.org/10.1021/ci300487zopenalex-snapshot
How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted?
inferred← citeshttps://doi.org/10.1021/ci700286xopenalex-snapshot
Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries
inferred← citeshttps://doi.org/10.1021/ci800426uopenalex-snapshot
Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository
inferred← citeshttps://doi.org/10.1021/ci900196uopenalex-snapshot
Mapping Human Metabolic Pathways in the Small Molecule Chemical Space
inferred← citeshttps://doi.org/10.1021/ci900398fopenalex-snapshot
Drug and Drug Candidate Building Block Analysis
inferred← citeshttps://doi.org/10.1021/ja401945aopenalex-snapshot
An Efficient System for Heterologous Expression of Secondary Metabolite Genes in Aspergillus nidulans
inferred← citeshttps://doi.org/10.1021/jacs.9b09721openalex-snapshot
Highly Selective and Catalytic Generation of Acyclic Quaternary Carbon Stereocenters via Functionalization of 1,3-Dienes with CO2
inferred← citeshttps://doi.org/10.1021/jm061259gopenalex-snapshot
SHOP: Scaffold HOPping by GRID-Based Similarity Searches
inferred← citeshttps://doi.org/10.1021/jm801514wopenalex-snapshot
Novel Chemical Space Exploration via Natural Products
inferred← citeshttps://doi.org/10.1021/jo8001276openalex-snapshot
Structural Diversity of Organic Chemistry. A Scaffold Analysis of the CAS Registry
inferred← citeshttps://doi.org/10.1021/ml300105sopenalex-snapshot
Chemical Diversity of Metabolites from Fungi, Cyanobacteria, and Plants Relative to FDA-Approved Anticancer Agents
inferred← citeshttps://doi.org/10.1021/mp300198dopenalex-snapshot
Drug-likeness Analysis of Traditional Chinese Medicines: Prediction of Drug-likeness Using Machine Learning Approaches
inferred← citeshttps://doi.org/10.1021/np070526yopenalex-snapshot
Developing a Drug-like Natural Product Library
inferred← citeshttps://doi.org/10.1021/np200687vopenalex-snapshot
Drug-like Properties: Guiding Principles for the Design of Natural Product Libraries
inferred← citeshttps://doi.org/10.1021/ol0487783openalex-snapshot
Diversity-Oriented Synthesis of Azaspirocycles
inferred← citeshttps://doi.org/10.1023/a:1020868022748openalex-snapshot
Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries
inferred← citeshttps://doi.org/10.1023/a:1021321621406openalex-snapshot
Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries
inferred← citeshttps://doi.org/10.1038/nbt0603-602openalex-snapshot
Putting nature back into drug discovery
inferred← citeshttps://doi.org/10.1038/nchem.2095openalex-snapshot
Revealing the macromolecular targets of complex natural products
inferred← citeshttps://doi.org/10.1038/nchem.2479openalex-snapshot
Counting on natural products for drug design
inferred← citeshttps://doi.org/10.1038/ncomms14043openalex-snapshot
A ligand-directed divergent catalytic approach to establish structural and functional scaffold diversity
inferred← citeshttps://doi.org/10.1038/ncomms7516openalex-snapshot
De novo branching cascades for structural and functional diversity in small molecules
inferred← citeshttps://doi.org/10.1038/nrd1657openalex-snapshot
The evolving role of natural products in drug discovery
inferred← citeshttps://doi.org/10.1038/s41467-024-50469-9openalex-snapshot
Chemical language modeling with structured state space sequence models
inferred← citeshttps://doi.org/10.1038/s41557-018-0132-6openalex-snapshot
Chromopynones are pseudo natural product glucose uptake inhibitors targeting glucose transporters GLUT-1 and -3
inferred← citeshttps://doi.org/10.1038/s41557-019-0411-xopenalex-snapshot
Principle and design of pseudo-natural products
inferred← citeshttps://doi.org/10.1038/s42004-018-0043-xopenalex-snapshot
Scaffold hopping from natural products to synthetic mimetics by holistic molecular similarity
inferred← citeshttps://doi.org/10.1038/srep09325openalex-snapshot
Clustered Distribution of Natural Product Leads of Drugs in the Chemical Space as Influenced by the Privileged Target-Sites
inferred← citeshttps://doi.org/10.1039/9781847558879-00044openalex-snapshot
Topological Pharmacophores
inferred← citeshttps://doi.org/10.1039/9781847558879-00217openalex-snapshot
Fragment-based De Novo Design of Drug-like Molecules
inferred← citeshttps://doi.org/10.1039/9781847559890-00028openalex-snapshot
Chemical Space and the Difference Between Natural Products and Synthetics
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