Discovery and Optimization of 4-Methylquinazoline Derivatives as PI3Kδ Inhibitors

A research dataset from figshare describes the design and synthesis of 4-methylquinazoline derivatives as selective PI3Kδ inhibitors for treating acute lung injury. Deyu Wu authored the dataset, which was last updated on 2026-05-24. The dataset includes PDB files totaling 1.4 MB.

Use Cases

• Structure-based drug design based on the described scaffold optimization
• Analyzing compound selectivity profiles based on the described potency against PI3Kδ isoforms
• Evaluating preclinical efficacy based on the described murine models of LPS-induced ALI
• Studying pharmacokinetic properties based on the described favorable characteristics of lead compound 48

Strengths

• Dataset includes PDB files, which likely contain structural data for the described compounds
• Lead compound 48 is described with single-digit nanomolar potency and exceptional selectivity

Limitations

• Column-level documentation is absent; field semantics must be inferred after download
• Row count is unknown, which may limit suitability assessment

Provenance

Source

figshare

Collection Method

Likely contains results from structure-based drug design, synthesis, and in vitro/in vivo testing as described.

Freshness

Last updated 2026-05-24 13:08:38; freshness should be verified