MVTs: Novel Metronidazole-Berberine Conjugates for Antibacterial Research

Butyl MVT 7b demonstrated a minimum inhibitory concentration of 0.005 mM against S. aureus 25923, being 69 times more active than berberine. This dataset contains structural data for novel metronidazolyl vinylthiazolidionyl tetrahydroberberine (MVT) compounds synthesized to combat bacterial resistance. The data was uploaded by Yu Zhou to figshare in May 2026.

Use Cases

• Analyze structure-activity relationships based on the described thiazolidinedione conjugation scaffold.
• Model protein-ligand interactions based on the provided PDB files of the MVT compounds.
• Screen for potential multitargeting antibacterial candidates based on the described mechanisms of membrane disruption and DNA intercalation.
• Compare in vitro and in vivo efficacy against S. aureus based on the described performance relative to norfloxacin.

Strengths

• Specific potency data is provided, with compound 7b showing a MIC of 0.005 mM.
• Multiple biological assays are described, including hemolysis, cytotoxicity, and biofilm eradication tests.
• The dataset includes 3D structural files in the PDB format.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is very small at 24.8 KB, indicating limited scope.

Provenance

Source

figshare

Collection Method

Synthetic medicinal chemistry work, likely involving chemical synthesis and biological testing.

Freshness

Last updated 2026-05-26 08:05:50; freshness should be verified.