A Polypharmacology-Driven Approach to Alzheimer’s Disease and Tauopathies: Rational Design

A dataset containing information on amino-pyrazole-based compounds designed as multikinase inhibitors targeting GSK-3β, FYN, and DYRK1A for Alzheimer's disease and tauopathies. The data was published by Stefania Demuro on figshare in April 2026. The dataset is 1.7 KB in size, indicating a limited scope focused on specific compound characterizations.

Use Cases

• Structure-activity relationship (SAR) analysis based on the computational and X-ray crystallography-driven exploration mentioned in the description.
• Evaluating polypharmacological profiles of drug candidates based on the multitarget-directed ligand (MTDL) approach described.
• Comparing in vitro efficacy of multi-target versus single-target inhibitors based on the referenced tau phosphorylation assay.

Strengths

• Data is associated with specific, named lead compounds (ARN25699 and ARN26646) with reported favorable ADME profiles.
• The research methodology is described, involving computational design, X-ray crystallography, and in vitro assays.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is very small at 1.7 KB, suggesting it contains summary or key result data rather than a large experimental corpus.

Provenance

Source

figshare

Collection Method

Computational and X-ray crystallography-driven SAR exploration, synthesis, and characterization of compounds.

Freshness

Last updated 2026-04-29 18:08:24; freshness should be verified.