Supplementary file 1_Dual-targeting phytochemicals Ergosterol and Quercetagetin implicate

Yujiao Chen's supplementary file from a 2026 figshare upload details a study on dual-targeting phytochemicals for cancer. The 6.2 MB DOCX file contains results from network pharmacology, molecular docking, SMRT sequencing, and in vitro/vivo studies using HepG2 and A549 cell lines and mouse models. It includes pharmacokinetic analysis of 31 compounds and data on nanocarrier systems that improved drug solubility and efflux properties.

Use Cases

• Validate network pharmacology hypotheses based on identified targets AR and ESR1.
• Benchmark molecular docking results for ergosterol and quercetagetin against steroid metabolism enzymes like 3βHSD and 17βHSD.
• Design nanocarrier systems based on the described solubility (Log S = -6.91) and P-glycoprotein efflux data.
• Plan preclinical evaluations using the in vivo results from Lewis lung carcinoma and H22 hepatoma mouse models.

Strengths

• Includes specific pharmacokinetic metrics, such as ergosterol's Log S of -6.91 and a 1000x solubility improvement with nanocarriers.
• Reports statistically significant in vivo results (p < 0.001) for quercetagetin's effect on splenomegaly and thymic atrophy.
• Provides molecular dynamics simulation results, including a stable RMSD of <0.1 nm for ergosterol-nanocarrier interactions.

Limitations

• Description metadata is limited; actual data quality requires manual inspection after download.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

Yujiao Chen via figshare

Collection Method

Research involving network pharmacology, molecular docking, SMRT sequencing, and in vitro/vivo studies.

Freshness

Last updated 2026-05-01 05:27:56; freshness should be verified.