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PSC-db: A Structured and Searchable 3D-Database for Plant Secondary Compounds
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
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MMFF VI. MMFF94s option for energy minimization studies
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Anti‐obesity effects of green tea: From bedside to bench
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The Natural Functions of Secondary Metabolites
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Evidence for various tryptamines and related compounds acting as substrates of the platelet 5-hydroxytryptamine transporter
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Resveratrol Induces Brain Resilience Against Alzheimer Neurodegeneration Through Proteostasis Enhancement
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Exploring Medicinal Plant Legacy for Drug Discovery in Post-genomic Era
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Similarity-based virtual screening using 2D fingerprints
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In vitro Metabolomic Approaches to Investigating the Potential Biological Effects of Phenolic Compounds: An Update
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DeepCPI: A Deep Learning-Based Framework for Large-Scale in Silico Drug Screening
inferredcites →https://doi.org/10.1016/j.pharmthera.2011.09.002openalex-snapshot
Phytocannabinoids as novel therapeutic agents in CNS disorders
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Pharmacological studies with endogenous enhancer substances: β-phenylethylamine, tryptamine, and their synthetic derivatives
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Evolution of secondary metabolites from an ecological and molecular phylogenetic perspective
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Pharmacokinetics of Hoasca alkaloids in healthy humans
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ZINC20─A Free Ultralarge-Scale Chemical Database for Ligand Discovery
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Analysis and Display of the Size Dependence of Chemical Similarity Coefficients
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ADME Evaluation in Drug Discovery. 5. Correlation of Caco-2 Permeation with Simple Molecular Properties
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Three-Dimensional Structure Database of Natural Metabolites (3DMET): A Novel Database of Curated 3D Structures
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ADME Evaluation in Drug Discovery. 7. Prediction of Oral Absorption by Correlation and Classification
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Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane, Octanol, and Water
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SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
inferredcites →https://doi.org/10.1093/bioinformatics/btu789openalex-snapshot
The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank
inferredcites →https://doi.org/10.1093/bioinformatics/btu829openalex-snapshot
3Dmol.js: molecular visualization with WebGL
inferredcites →https://doi.org/10.1093/nar/gkaa971openalex-snapshot
PubChem in 2021: new data content and improved web interfaces
inferredcites →https://doi.org/10.1093/nar/gkl999openalex-snapshot
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
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Super Natural II—a database of natural products
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KEGG as a reference resource for gene and protein annotation
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PubChem Substance and Compound databases
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NPASS: natural product activity and species source database for natural product research, discovery and tool development
inferredcites →https://doi.org/10.1093/pcp/pcs186openalex-snapshot
KNApSAcK-3D: A Three-Dimensional Structure Database of Plant Metabolites
inferredcites →https://doi.org/10.1186/1758-2946-3-33openalex-snapshot
Open Babel: An open chemical toolbox
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Review on natural products databases: where to find data in 2020
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Use of Natural Products as Chemical Library for Drug Discovery and Network Pharmacology
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Virtual Screening on Natural Products for Discovering Active Compounds and Target Information
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Phytocannabinoids for Cancer Therapeutics: Recent Updates and Future Prospects
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Green Tea Polyphenols as an Anti-Oxidant and Anti-Inflammatory Agent for Cardiovascular Protection
inferredcites →https://doi.org/10.2751/jcac.7.157openalex-snapshot
[Special Issue: Fact Databases and Freewares] RIKEN Natural Products Encyclopedia (RIKEN NPEdia),a Chemical Database of RIKEN Natural Products Depository (RIKEN NPDepo)
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Open Access Databases and Datasets for Computer‐Aided Drug Design. A Short List Used in the Molecular Modelling Group of the SIB
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Databases Relevant to Phytochemicals and Genes That Govern Biosynthesis of the Phytochemicals
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Identification of potential plant secondary metabolites targeting begomovirus-associated betasatellite virulence factor βC1 protein through molecular docking, simulation and MM-PBSA studies
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Informatics and databases for phytochemical drug discovery
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Molecular Mechanics Demonstrate S-COMT as promising therapeutic receptor when analyzed with secondary plant metabolites
inferred← citeshttps://doi.org/10.1016/j.rhisph.2026.101392openalex-snapshot
Plant secondary metabolites: Integrating phytochemical characterization, in silico approaches, and biotechnological innovations for future applications
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A critical assessment of bioactive compounds databases
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Web repositories of natural agents promote pests and pathogenic microbes management
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The Combination of Tradition and Future: Data-Driven Natural-Product-Based Treatments for Parkinson’s Disease
inferred← citeshttps://doi.org/10.17650/2313-805x-2023-10-2-30-41openalex-snapshot
Mechanisms of action of plant polyphenols on the initiation of carcinogenesis
inferred← citeshttps://doi.org/10.22207/jpam.19.1.33openalex-snapshot
Identification of Natural Inhibitors Targeting the NS3-Like Helicase Enzyme of Emerging Tick Alongshan Virus
inferred← citeshttps://doi.org/10.25259/jksus_1450_2025openalex-snapshot
Plant secondary metabolites as potential myostatin inhibitors: Computational insights for skeletal muscle atrophy
inferred← citeshttps://doi.org/10.29086/10413/22792openalex-snapshot
The morphological characterization, chemical composition and biological activity of barleria albostellata (Acanthaceae).
inferred← citeshttps://doi.org/10.3389/fcell.2021.738838openalex-snapshot
Translational Informatics for Natural Products as Antidepressant Agents
inferred← citeshttps://doi.org/10.3390/ijms23031595openalex-snapshot
Structural Insights into the Substrate Transport Mechanisms in GTR Transporters through Ensemble Docking
inferred← citeshttps://doi.org/10.3390/ijms241310663openalex-snapshot
Inhibition of Cancer Development by Natural Plant Polyphenols: Molecular Mechanisms
inferred← citeshttps://doi.org/10.3390/jof8020213openalex-snapshot
Plant-Derived Protectants in Combating Soil-Borne Fungal Infections in Tomato and Chilli
inferred← citeshttps://doi.org/10.3390/v16071128openalex-snapshot
Naturally Derived Terpenoids Targeting the 3Dpol of Foot-and-Mouth Disease Virus: An Integrated In Silico and In Vitro Investigation
inferred← citeshttps://doi.org/10.3390/vetsci12100971openalex-snapshot
Antiviral Efficacy of Lignan Derivatives (-)-Asarinin and Sesamin Against Foot-and-Mouth Disease Virus by Targeting RNA-Dependent RNA Polymerase (3Dpol)
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In silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants — A review
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