Shikonin Derivatives: Antitumor Activity and Mechanism Data for Gastric Cancer

31 shikonin derivatives were synthesized and evaluated for anticancer activity. The dataset includes structure-activity relationship analysis identifying compound 3k, which showed approximately 10-fold greater antiproliferative potency than shikonin in gastric cancer cell lines. The data, authored by Bei Zhang and last updated in 2026, includes results from proteomic profiling and in vivo xenograft model validation.

Use Cases

• Structure-activity relationship (SAR) modeling based on the 31 synthesized shikonin derivatives.
• Identifying lead compounds with preferential sensitivity in gastric cancer cell lines based on the antiproliferative potency data.
• Investigating the activation of integrated stress response (ISR) and reactive oxygen species (ROS) pathways based on the proteomic profiling results.
• Validating anticancer efficacy in xenograft models based on the in vivo data mentioned.
• Comparing the induction of apoptosis versus ferroptosis based on the mechanistic studies described.

Strengths

• Includes data on 31 specifically designed and synthesized chemical derivatives.
• Identifies a lead compound (3k) with approximately 10-fold greater potency than the parent molecule.
• Mechanistic validation includes both in vitro cell line data and an in vivo gastric cancer xenograft model.
• Proteomic profiling provides pathway-level insights into the drug's mechanism of action.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The 2.8 KB file size suggests a very limited scope, likely containing only summary or key results.

Provenance

Source

figshare

Collection Method

Data likely originates from laboratory experiments in medicinal chemistry and cancer biology, including compound synthesis, cell viability assays, proteomics, and animal studies.

Freshness

Last updated 2026-05-28 08:06:23; freshness should be verified.