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Targeting quinazoline derivatives for colorectal cancer: toxicity prediction, molecular docking, dynamics simulation, MM-GBSA calculation and structural insights

Network Modeling Analysis in Health Informatics and Bioinformatics(2025)10.1007/s13721-025-00685-0Source: DataRank Database

Targeting quinazoline derivatives for colorectal cancer: toxicity prediction, molecular docking, dynamics simulation, MM-GBSA calculation and structural insights is a research paper published in Network Modeling Analysis in Health Informatics and Bioinformatics (2025). On theSindex it has a DataRank of 0.

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Impact (FWCI 0.00)OA: closedTopics (14)IDs (PubMed, OpenAlex)

FAIR Checklist

Context only (not used in score)

Findable (1/2)

Has DOI

Accessible (0/2)

Interoperable (0/2)

Reusable (0/3)

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Authors (2)

Ajay Kumar ORCID,Komal Prajapati

Live enrichment

PubMed:20819859 OpenAlex:https://openalex.org/W4417485348

FWCI

0.00

Citation Percentile

0.4%

closedLicense: https://www.springernature.com/gp/researchers/text-and-data-mining

publisherhttps://link.springer.com/content/pdf/10.1007/s13721-025-00685-0.pdf

publisherhttps://link.springer.com/article/10.1007/s13721-025-00685-0

journalhttps://doi.org/10.1007/s13721-025-00685-0

Fields of Study

Drug Transport and Resistance MechanismsComputational Drug Discovery MethodsPharmacogenetics and Drug MetabolismComputer ScienceMedicineChemistry

Keywords

Molecular dynamicsVirtual screeningQuinazolineADMEDocking (animal)CytotoxicityHydrogen bondCYP17A1

Targeting quinazoline derivatives for colorectal cancer: toxicity prediction, molecular docking, dynamics simulation, MM-GBSA calculation and structural insights

FAIR Checklist

Authors (2)

Impact

Open Access

Topics