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Discovery of novel aminopiperidinyl amide CXCR4 modulators through virtual screening and rational drug design

European Journal of Medicinal Chemistry(2020)10.1016/j.ejmech.2020.112479Source: DataRank Database

Discovery of novel aminopiperidinyl amide CXCR4 modulators through virtual screening and rational drug design is a research paper published in European Journal of Medicinal Chemistry (2020). On theSindex it has a DataRank of 0. It has been cited 18 times.

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Open Access18 citations

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Enrichment:Funding (4 grants)OA: bronzeTopics (51)IDs (PubMed, PMC)Annotations (3)SDGs (1)

FAIR Checklist

Context only (not used in score)

Findable (1/2)

Has DOI

Accessible (1/2)

Open Access

Interoperable (0/2)

Reusable (0/3)

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Authors (6)

Steven A. Kell ORCID,Younghyoun Yoon,Zhongxing Liang ORCID,Pieter B. Burger ORCID,Hyunsuk Shim ORCID

Live enrichment

PubMed:32534343 PMC:PMC7422936

NIBIB NIH HHS

Grant: U01 EB028145

National Institutes of Health

Grant: 1U01EB028145-01

Improved Whole-Brain Spectroscopic MRI for Radiation Treatment Planning

National Institutes of Health

School of Medicine, Emory University

bronzeLicense: Elsevier TDM

publisherhttps://api.elsevier.com/content/article/PII:S0223523420304505?httpAccept=text/xml

publisherhttps://api.elsevier.com/content/article/PII:S0223523420304505?httpAccept=text/plain

https://doi.org/10.1016/j.ejmech.2020.112479

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7422936

https://pubmed.ncbi.nlm.nih.gov/32534343

Fields of Study

0301 basic medicine0303 health sciences03 medical and health sciencesAnimalsAnti-Inflammatory AgentsCell Line, TumorDrug DesignHumansInflammationMiceMolecular Docking SimulationMolecular Dynamics SimulationMolecular StructurePiperidinesProtein BindingReceptors, CXCR4Structure-Activity Relationship

MeSH Terms

Cell Line, TumorAnimalsHumansMiceInflammationPiperidinesReceptors, CXCR4Anti-Inflammatory AgentsMolecular StructureProtein BindingStructure-Activity RelationshipDrug DesignMolecular Dynamics SimulationMolecular Docking Simulation

Keywords

Structure-Based Drug DesignMolecular dockingMolecular dynamicsC-x-c Chemokine Receptor Type 4 (Cxcr4)Chemokine ModulatorLigand Shape SimilarityInflammationReceptors, CXCR4Molecular StructureAnti-Inflammatory AgentsMolecular Dynamics SimulationMolecular Docking SimulationMiceStructure-Activity RelationshipPiperidinesCell Line, TumorDrug DesignAnimalsHumansProtein Binding

Sustainable Development Goals

SDG 3: 3. Good health

Discovery of novel aminopiperidinyl amide CXCR4 modulators through virtual screening and rational drug design

FAIR Checklist

Authors (6)

Funding (4 grants)

Open Access

Topics

Annotations (Europe PMC)