Ultrasound-Assisted Triazole Schiff Bases: Synthesis and Dual Enzyme Inhibition Data

A figshare dataset by Ergün Gültekin, last updated May 2026, containing research on novel chemical compounds. The study details the synthesis, characterization, and inhibitory activity of five 3-pentyl-substituted 1,2,4-triazole-5-thione Schiff base derivatives against urease and α-glucosidase enzymes.

Use Cases

• Training predictive models for enzyme inhibition based on compound structural features described in the study.
• Benchmarking molecular docking simulations against experimental IC50 values for urease and α-glucosidase.
• Analyzing structure-activity relationships for triazole-Schiff base hybrids as dual-target inhibitors.
• Validating in silico ADME property predictions with synthesized compound data.

Strengths

• Includes specific IC50 values for the most potent compound (6c: 14.14 ± 2.61 μg/mL for urease, 13.14 ± 0.42 μg/mL for α-glucosidase).
• Compounds were characterized using multiple analytical techniques (FT-IR, NMR, LC–MS).
• Research includes both experimental assays and computational molecular docking studies.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Data is contained in a 1.4 MB DOCX file, which may require parsing to extract structured information.

Provenance

Source

figshare

Collection Method

Experimental synthesis and characterization via ultrasound-assisted condensation, followed by spectrophotometric enzyme assays and computational docking.

Time Range

null

Freshness

Last updated 2026-05-19 08:41:01; freshness should be verified.

Geography

null