Structure-Activity Relationship Studies for 1,3,4-Thiadiazole-Based Bacterial Carbonic Anh

A dataset of structure-activity relationship studies for acetazolamide-based 1,3,4-thiadiazole derivatives targeting bacterial carbonic anhydrase. The data includes in vitro ADME evaluation and in vivo pharmacokinetic analysis for lead compounds, culminating in efficacy testing in a mouse model of drug-resistant Neisseria gonorrhoeae infection. Author Prabhakara R. Tharra uploaded the dataset to figshare, last updated on 2026-05-06.

Use Cases

• Training QSAR models based on molecular structure and activity data.
• Identifying lead compounds for antibiotic development based on in vivo efficacy results.
• Analyzing ADME properties for potential drug candidates based on the described evaluations.
• Comparing the activity of compound analogs against bacterial carbonic anhydrase targets.

Strengths

• Includes in vivo pharmacokinetic and efficacy data from a mouse model, as described.
• Dataset size is 6.0 MB, suggesting a detailed but manageable collection of experimental results.
• Focuses on a specific, high-priority pathogen (drug-resistant Neisseria gonorrhoeae).

Limitations

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

Provenance

Source

figshare

Collection Method

Likely contains experimental results from medicinal chemistry and pharmacology studies.

Freshness

Last updated 2026-05-06 09:34:17; freshness should be verified.