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Drug-target interaction, molecular screening, ADMET, compound databases, pharmaceutical data
532 datasets
Functioning as derived from 5,007 cheilitis reports from the U.S. FDA Adverse Event Reporting System (2004–2025). It identifies 38 pharmaceuticals significantly associated with cheilitis, with disproportionality analysis results like ROR values, and includes network toxicology and molecular docking findings on core targets and binding affinities.
The dataset underpins a pharmacovigilance study analyzing 5,007 cheilitis reports from the U.S. FDA Adverse Event Reporting System (2004–2025). It identifies 38 pharmaceuticals significantly associated with the condition, with disproportionality analysis (ROR) and molecular docking results for key drug-target interactions.
This dataset underpins a pharmacovigilance study analyzing 5,007 cheilitis reports from the U.S. FDA Adverse Event Reporting System (FAERS) from 2004–2025. The research identified 38 drugs significantly associated with cheilitis, with isotretinoin most reported and crisaborole showing the strongest signal. It integrates disproportionality analysis, network toxicology, and molecular docking results, including binding affinities and molecular dynamics simulations.
This dataset underpins a pharmacovigilance study analyzing 5,007 cheilitis reports from the FDA Adverse Event Reporting System (2004–2025). It identifies 38 pharmaceuticals significantly associated with the adverse reaction, with disproportionality analysis and molecular docking results. The study includes risk factors like female sex and protective factors like age.
Functioning as derived from 5,007 cheilitis reports from the U.S. FDA Adverse Event Reporting System (2004–2025). It identifies 38 pharmaceuticals significantly associated with cheilitis, with disproportionality analysis results like ROR values, and includes findings from network toxicology and molecular docking studies.
Functioning as derived from an analysis of 5,007 cheilitis adverse event reports from the U.S. FDA Adverse Event Reporting System (FAERS) spanning 2004–2025. It identifies 38 pharmaceuticals significantly associated with cheilitis, with isotretinoin most frequently reported and crisaborole showing the strongest signal. The study integrates pharmacovigilance, network toxicology, and molecular docking results, including binding affinities and molecular dynamics simulations.
Top-docking scores, measured in kcal/mol, for two hybrid compounds labeled 6d and 6e against multiple molecular targets. The dataset is a 9.5 KB XLS file authored by Angie Herrera-Ramírez and last updated on April 13, 2026.
Angie Herrera-Ramírez created this dataset, which profiles the biopharmaceutical and drug-likeness properties of two hit hybrid compounds, 6d and 6e. The dataset is stored in a 5.5 KB XLS file and was last updated on April 13,我们发现 2026. Its specific geographic or temporal scope is not detailed in the provided metadata.
9.5 KB of tabular data containing docking/binding affinity scores measured in kcal/mol. The dataset, authored by Mohammad Nazmol Hasan and last updated on April 13, 2026, quantifies interactions between HanMATE proteins and flavonoids.
The central London Ultra Low Emission Zone (ULEZ) was introduced to clean up London’s most polluted air. It started on 8 April 2019, operates in the existing central London Congestion Charge Zone 24 hours a day, every day of the year, and is managed by the Greater London Authority. Vehicles must meet strict emission standards to drive in the area or pay a charge, replacing the previous Toxicity Charge (T-Charge).
A 451.3 KB PDF research article published on figshare by Xin Chen in March 2026. The document details experimental results from a study investigating the natural product Engeletin's ability to alleviate doxorubicin-induced cardiotoxicity in mouse and cell models.
A 23.1 KB document by Menghan Ye, last updated March 2026, investigates tacrolimus-induced nephrotoxicity. The study explores how tacrolimus suppresses IDO1 activity, blocking tryptophan-to-kynurenine conversion and impairing de novo NAD+ synthesis. It is shared under a CC-BY-4.0 license on figshare.
A 1.2 MB research document details a systems pharmacology study of Wengxian granules against avian salmonellosis. The study, authored by Siting Pu and last updated in March 2026, identifies 40 active compounds and 66 potential therapeutic targets. It describes experimental results on blood cell counts, immunoglobulin levels, and cecal mucosa integrity in an infection model.
Replication archive for Lester (2026) contains O*NET v30.0 Importance scores for five research occupations and pharmaceutical pipeline data sources. The Python replication script includes 14 automated verification checks, all of which pass on the included data. Ryan Lester authored this archive, which was last updated in April 2026.
StopTox software calculated toxicity parameters for selected phytochemicals from the plant Astragalus zederbaueri. The 5.5 KB dataset was authored by Saman Asghar and last updated on April 10, 2026. It is shared under a CC-BY-4.0 license on the figshare platform.
A 5.5 KB Excel file containing molecular docking analyses and binding affinity results. The dataset was authored by Jing Wu and is available under a CC-BY-4.0 license. It was last updated on April 10, 2026.
A collection of the PDB structure file for WCF-598, a potent and selective RXRγ degrader developed via the PROTAC approach. The compound demonstrated robust antiproliferative activity and induced tumor regression in 22Rv1 xenograft mouse models of castration-resistant prostate cancer. The file size is 402.2 KB.
Featuring results from a prospective virtual screening campaign using AlphaFold3 cofolding predictions to discover covalent ligands. It demonstrates the model's application against the kinase BTK, leading to the identification of a novel, potent, and selective covalent small molecule inhibitor. The dataset is 575.5 KB in size, provided in XLSX format.
Comprising results from a prospective virtual screening campaign using AlphaFold3 cofolding predictions to discover covalent inhibitors. It demonstrates the discovery of a novel covalent small molecule with potent inhibition against the model kinase BTK, validated by co-crystallography showing subangstrom accuracy. The dataset is provided in XLSX format.
A collection of results from a prospective virtual screening campaign using AlphaFold3 cofolding predictions to discover covalent ligands. It demonstrates the model's application against the kinase BTK, leading to the identification of a novel, potent, and selective covalent small molecule inhibitor. The dataset is 575.5 KB in size, provided in XLSX format.