Spiro-Linked Polyketides from Westerdykella dispersa as iNOS Inhibitors

Shu-Jung Huang published a dataset on figshare in 2026 describing seven chemical entities isolated from the fungal strain Westerdykella dispersa Ca4–13. The dataset includes anti-inflammatory activity data, with IC50 values ranging from 9.9 to 11.3 μM for four compounds, and results from molecular docking analysis against murine iNOS (PDB ID: 1QW4). The findings highlight these compounds as potential leads for neuroinflammation-related drug development.

Use Cases

• Identify novel polyketide structures based on spectroscopic analysis results described in the dataset.
• Screen for potential iNOS inhibitors based on the reported IC50 values for nitric oxide production in LPS-induced BV-2 cells.
• Perform structure-activity relationship analysis based on the anti-inflammatory activities of compounds 1, 2, 3, and 7.
• Validate molecular docking models using the structural insights into the l-arginine binding pocket of murine iNOS.
• Prioritize lead compounds for neuroinflammation drug development based on the reported suppression of iNOS protein expression.

Strengths

• Includes specific IC50 values (9.9 to 11.3 μM) for anti-inflammatory activity of four compounds.
• Provides structural elucidation details for seven chemical entities, including novel and rare polyketides.
• Contains results from molecular docking analysis using a specific protein target (murine iNOS, PDB ID: 1QW4).

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 very small at 149.2 KB, indicating limited scope.

Provenance

Source

Shu-Jung Huang via figshare.

Collection Method

Chemical investigation and spectroscopic analysis of fermented products from the fungal strain Westerdykella dispersa Ca4–13.

Freshness

Last updated 2026-05-28 20:04:13; freshness should be verified.

Geography

The fungal strain was isolated from edible oysters collected from Taiwan.