Cytotoxic Ophiobolin Derivatives from an Endophytic Fungus

Li Xian published a dataset on figshare on June 3, 2026, describing six ophiobolin derivatives isolated from the endophytic fungus Penicillium ochrochloron YT2022-65. The data includes structural elucidation results from HRESIMS and NMR, as well as cytotoxicity screening results against four human cancer cell lines. The dataset is 4.7 MB and available under a CC-BY-4.0 license.

Use Cases

• Structure-activity relationship (SAR) analysis based on the C-7 aldehyde group's role in bioactivity.
• Virtual screening for cytotoxic compounds based on the elucidated chemical structures.
• Comparative analysis of fungal metabolite diversity based on the six isolated ophiobolin derivatives.
• Training models for cytotoxicity prediction based on the screening results against A549, HepG2, MCF-7, and THP-1 cell lines.

Strengths

• Includes a novel compound (16,17-dihydro-ophiobolin X) with fully established absolute configuration.
• Cytotoxicity data is provided for four distinct human cancer cell lines (A549, HepG2, MCF-7, THP-1).
• Structures were elucidated using integrated HRESIMS and 1D/2D NMR techniques.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is small at 4.7 MB, indicating limited scale.

Provenance

Source

figshare

Collection Method

Chemical investigation and isolation from the endophytic fungus Penicillium ochrochloron YT2022-65 obtained from Lonicera japonica.

Freshness

Last updated 2026-06-03 20:28:20; freshness should be verified.