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ChemGPS-NP: Tuned for Navigation in Biologically Relevant Chemical Space
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Exploitation of secondary metabolites by animals: A response to homeostatic challenges
inferred← citeshttps://doi.org/10.1101/2023.03.08.531692openalex-snapshot
Leaf metabolic traits reveal hidden dimensions of plant form and function
inferred← citeshttps://doi.org/10.1109/biovis.2011.6094053openalex-snapshot
HiTSEE: A visualization tool for hit selection and analysis in high-throughput screening experiments
inferred← citeshttps://doi.org/10.1111/1365-2745.70265openalex-snapshot
Intraspecific competition drives orthogonal variation in root exudate metabolic and functional traits in seedlings of a dominant species
inferred← citeshttps://doi.org/10.1111/irv.70166openalex-snapshot
Anticoronavirus Isoquinoline Alkaloids: Unraveling the Secrets of Their Structure–Activity Relationship
inferred← citeshttps://doi.org/10.1111/j.1096-0031.2008.00244.xopenalex-snapshot
Secondary chemistry and ribosomal DNA data congruencies in Arnica (Asteraceae)
inferred← citeshttps://doi.org/10.1111/j.2042-7158.2012.01536.xopenalex-snapshot
In-vitro evaluation of the P-glycoprotein interactions of a series of potentially CNS-active Amaryllidaceae alkaloids
inferred← citeshttps://doi.org/10.1126/sciadv.adi4029openalex-snapshot
Leaf metabolic traits reveal hidden dimensions of plant form and function
inferred← citeshttps://doi.org/10.1128/aac.00829-17openalex-snapshot
Identification and Mode of Action of a Plant Natural Product Targeting Human Fungal Pathogens
inferred← citeshttps://doi.org/10.1155/2018/4173479openalex-snapshot
Identification of Lutzomyia longipalpis Odorant Binding Protein Modulators by Comparative Modeling, Hierarchical Virtual Screening, and Molecular Dynamics
inferred← citeshttps://doi.org/10.1155/2024/2023620openalex-snapshot
A Comprehensive Review on Potential In Silico Screened Herbal Bioactive Compounds and Host Targets in the Cardiovascular Disease Therapy
inferred← citeshttps://doi.org/10.1177/1934578x1200700917openalex-snapshot
Evaluation of Antibacterial and Anti-biofilm Activities of Cinchona Alkaloid Derivatives against Staphylococcus aureus
inferred← citeshttps://doi.org/10.1177/1934578x1400900404openalex-snapshot
Chemical Modifications of Cinchona Alkaloids Lead to Enhanced Inhibition of Human Butyrylcholinesterase
inferred← citeshttps://doi.org/10.1186/1471-2105-10-s6-s13openalex-snapshot
A chemogenomics view on protein-ligand spaces
inferred← citeshttps://doi.org/10.1186/1471-2105-13-s8-s4openalex-snapshot
HiTSEE KNIME: a visualization tool for hit selection and analysis in high-throughput screening experiments for the KNIME platform
inferred← citeshttps://doi.org/10.1186/1471-2148-12-182openalex-snapshot
Can phylogeny predict chemical diversity and potential medicinal activity of plants? A case study of amaryllidaceae
inferred← citeshttps://doi.org/10.1186/s12936-016-1087-yopenalex-snapshot
Prioritization of anti-malarial hits from nature: chemo-informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti-malarial drugs
inferred← citeshttps://doi.org/10.1186/s13321-017-0234-yopenalex-snapshot
Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm
inferred← citeshttps://doi.org/10.1186/s13321-024-00888-zopenalex-snapshot
MolCompass: multi-tool for the navigation in chemical space and visual validation of QSAR/QSPR models
inferred← citeshttps://doi.org/10.1186/s13321-026-01156-yopenalex-snapshot
SPARFlow: a KNIME workflow for integrated structure–activity or structure–property relationship analysis
inferred← citeshttps://doi.org/10.1201/b11196-2openalex-snapshot
Strategies and Methods for a Sustainable Search for Bioactive Compounds
inferred← citeshttps://doi.org/10.1201/b11196-5openalex-snapshot
Computational Approaches for the Discovery of Natural Lead Structures
inferred← citeshttps://doi.org/10.12688/f1000research.12095.1openalex-snapshot
ChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds
inferred← citeshttps://doi.org/10.12688/f1000research.12095.2openalex-snapshot
ChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds
inferred← citeshttps://doi.org/10.13070/rs.en.1.996openalex-snapshot
Essential Set of Molecular Descriptors for ADME Prediction in Drug and Environmental Chemical Space
inferred← citeshttps://doi.org/10.1371/journal.pone.0037897openalex-snapshot
Synthesis and Biological Evaluation of Phenanthrenes as Cytotoxic Agents with Pharmacophore Modeling and ChemGPS-NP Prediction as Topo II Inhibitors
inferred← citeshttps://doi.org/10.1371/journal.pone.0063730openalex-snapshot
Insights into an Original Pocket-Ligand Pair Classification: A Promising Tool for Ligand Profile Prediction
inferred← citeshttps://doi.org/10.1371/journal.pone.0195668openalex-snapshot
Scaffold hopping from (5-hydroxymethyl) isophthalates to multisubstituted pyrimidines diminishes binding affinity to the C1 domain of protein kinase C
inferred← citeshttps://doi.org/10.1371/journal.pone.0265639openalex-snapshot
In vitro and in silico evaluation of Ononis isoflavonoids as molecules targeting the central nervous system
inferred← citeshttps://doi.org/10.14232/syrpharmacognosy.2021.a9openalex-snapshot
Preparation and investigation of ecdysteroid – cinnamic acid hybrid compounds
inferred← citeshttps://doi.org/10.1515/psr-2018-0103openalex-snapshot
Chemical space of naturally occurring compounds
inferred← citeshttps://doi.org/10.1515/psr-2018-0121openalex-snapshot
An enumeration of natural products from microbial, marine and terrestrial sources
inferred← citeshttps://doi.org/10.1515/psr-2018-0169openalex-snapshot
“Drug-likeness” properties of natural compounds
inferred← citeshttps://doi.org/10.1517/17460441.2015.1060216openalex-snapshot
Progress in visual representations of chemical space
inferred← citeshttps://doi.org/10.2174/092986711796642652openalex-snapshot
From the Sea to Anticancer Therapy
inferred← citeshttps://doi.org/10.2174/1568026613666131216110417openalex-snapshot
Reviewing Colchicaceae Alkaloids – Perspectives of Evolution on Medicinal Chemistry
inferred← citeshttps://doi.org/10.25904/1912/738openalex-snapshot
Discovery of Antimalarial Natural Products Against Malarial Targets Using Bioaffinity Mass Spectrometry
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-kpx9wopenalex-snapshot
ASHA:A Chemical Sapce Navigator app for Dual–Target-Directed-Inhibitor design
inferred← citeshttps://doi.org/10.3389/fchem.2018.00242openalex-snapshot
In Silico Workflow for the Discovery of Natural Products Activating the G Protein-Coupled Bile Acid Receptor 1
inferred← citeshttps://doi.org/10.3389/fchem.2019.00510openalex-snapshot
Finding Constellations in Chemical Space Through Core Analysis
inferred← citeshttps://doi.org/10.3389/fmicb.2020.00266openalex-snapshot
Identification of Anti-Mycobacterium and Anti-Legionella Compounds With Potential Distinctive Structural Scaffolds From an HD-PBL Using Phenotypic Screens in Amoebae Host Models
inferred← citeshttps://doi.org/10.3389/fphar.2017.00356openalex-snapshot
Anti-allergic Hydroxy Fatty Acids from Typhonium blumei Explored through ChemGPS-NP
inferred← citeshttps://doi.org/10.3389/fphar.2020.00397openalex-snapshot
Unraveling Plant Natural Chemical Diversity for Drug Discovery Purposes
inferred← citeshttps://doi.org/10.3389/fphar.2024.1403424openalex-snapshot
The SAR analysis of dietary polyphenols and their antagonistic effects on bortezomib at physiological concentrations
inferred← citeshttps://doi.org/10.3389/fpls.2021.805610openalex-snapshot
Chemoenzymatic Synthesis of Complex Phenylpropanoid Derivatives by the Botrytis cinerea Secretome and Evaluation of Their Wnt Inhibition Activity
inferred← citeshttps://doi.org/10.3390/app12062906openalex-snapshot
A Brief Review of Machine Learning-Based Bioactive Compound Research
inferred← citeshttps://doi.org/10.3390/md12031169openalex-snapshot
Chemoinformatic Analysis as a Tool for Prioritization of Trypanocidal Marine Derived Lead Compounds
inferred← citeshttps://doi.org/10.3390/md14080151openalex-snapshot
Anti-Dengue Virus Constituents from Formosan Zoanthid Palythoa mutuki
inferred← citeshttps://doi.org/10.3390/md16030075openalex-snapshot
Briaviolides K–N, New Briarane-Type Diterpenoids from Cultured Octocoral Briareum violaceum
inferred← citeshttps://doi.org/10.3390/md20010042openalex-snapshot
Not Drug-like, but Like Drugs: Cnidaria Natural Products
inferred← citeshttps://doi.org/10.3390/md21020100openalex-snapshot
Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs
inferred← citeshttps://doi.org/10.3390/md8030438openalex-snapshot
Development of Novel Drugs from Marine Surface Associated Microorganisms
inferred← citeshttps://doi.org/10.3390/metabo11080532openalex-snapshot
Anti-Proliferative Potential of Secondary Metabolites from the Marine Sponge Theonella sp.: Moving from Correlation toward Causation
inferred← citeshttps://doi.org/10.3390/molecules20045286openalex-snapshot
Antibiotic Discovery: Combatting Bacterial Resistance in Cells and in Biofilm Communities
inferred← citeshttps://doi.org/10.3390/molecules22091392openalex-snapshot
Spasmolytic Mechanism of Aqueous Licorice Extract on Oxytocin-Induced Uterine Contraction through Inhibiting the Phosphorylation of Heat Shock Protein 27
inferred← citeshttps://doi.org/10.3390/molecules23020453openalex-snapshot
Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening
inferred← citeshttps://doi.org/10.3390/molecules23071765openalex-snapshot
Ionic Liquid Solutions as a Green Tool for the Extraction and Isolation of Natural Products
inferred← citeshttps://doi.org/10.3390/molecules25040945openalex-snapshot
Evaluating Antimycobacterial Screening Schemes Using Chemical Global Positioning System-Natural Product Analysis
inferred← citeshttps://doi.org/10.3390/molecules27030753openalex-snapshot
The Chemical Property Position of Bedaquiline Construed by a Chemical Global Positioning System-Natural Product
inferred← citeshttps://doi.org/10.3390/molecules28176333openalex-snapshot
Sampling and Mapping Chemical Space with Extended Similarity Indices
inferred← citeshttps://doi.org/10.3390/ph17060703openalex-snapshot
Technology Readiness Level Roadmap for Developing Innovative Herbal Medicinal Products
inferred← citeshttps://doi.org/10.3390/pharmaceutics13071101openalex-snapshot
Application of Artificial Neural Networks to Predict the Intrinsic Solubility of Drug-Like Molecules
inferred← citeshttps://doi.org/10.3390/pharmaceutics14091967openalex-snapshot
Stability Study of Alpinia galanga Constituents and Investigation of Their Membrane Permeability by ChemGPS-NP and the Parallel Artificial Membrane Permeability Assay
inferred← citeshttps://doi.org/10.3390/separations11070194openalex-snapshot
Rapid Discovery of Antimicrobial and Antimalarial Agents from Natural Product Fragments
inferred← citeshttps://doi.org/10.3762/bjoc.16.23openalex-snapshot
Combination of multicomponent KA2 and Pauson–Khand reactions: short synthesis of spirocyclic pyrrolocyclopentenones
inferred← citeshttps://doi.org/10.5772/52346openalex-snapshot
Targeting Colon Drug Delivery by Natural Products
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