Benzenesulfonamide Influenza Inhibitors Structure-Activity Relationship Data

Over 80 synthesized benzenesulfonamide analogs were tested for potency against influenza A virus hemagglutinin. The dataset includes experimental results for lead compounds like (S)-63, which showed a 10-fold potency improvement against an oeltamivir-resistant H1N1 strain. This structure-activity relationship study was conducted by Huijuan Song and published in 2026.

Use Cases

• Analyze the structure-activity relationship (SAR) across over 80 sulfonyl-containing analogs to identify chemical features driving potency (EC50).
• Compare the in vivo efficacy of lead compounds (S)-63 and 27 against the parent scaffold F0045(S) using survival rate data from a lethal mouse model.
• Model the potency enhancement of the sulfonyl chemotype by correlating structural modifications with EC50 values for both standard and resistant influenza strains.

Strengths

• Includes data for over 80 synthesized chemical analogs, enabling systematic SAR analysis.
• Reports precise EC50 values for key compounds, such as SHJ-027 (0.56 μM) and (S)-63 (0.23 μM).
• Contains in vivo efficacy results from a lethal influenza mouse model, showing 20–30% survival for lead compounds.

Limitations

• The dataset is small in file size (674.7 KB), indicating limited scope and likely a focused set of experimental results.
• Specific column names and data structure are unknown, requiring user investigation of the PDB file format.
• Data is focused on a single chemical scaffold and target (HA inhibition), limiting generalizability to other antiviral mechanisms.

Provenance

Source

Huijuan Song via figshare.

Collection Method

Data generated through systematic structure-based design, synthesis, and biological testing (in vitro EC50, in vivo mouse model).

Time Range

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Freshness

Last updated in March 2026.

Geography

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