MBK4 Series: Thiosemicarbazone Derivatives Evaluated as Antineoplastic Agents

A series of fused thiosemicarbazone derivatives bearing benzothiazole and pyridine moieties (MBK4-1 to MBK4-10) was synthesized and evaluated for anticancer activity. The compounds were tested against MCF-7, A-549, and HEP-G2 cell lines, with MBK4-6 showing the highest potency. Molecular docking studies and ADME analysis were performed, suggesting MBK4-6 as a promising lead for further anticancer development.

Use Cases

• Predicting drug-likeness based on in silico ADME analysis results
• Comparing compound potency based on IC50 values against three cancer cell lines
• Analyzing molecular docking interactions with EGFR residues
• Evaluating synthetic yield from a one-pot multicomponent approach

Strengths

• IC50 values for the most potent compound MBK4-6 are provided (4.87, 3.74, and 2.07 µM)
• Compounds were characterized by IR, NMR, and MS analyses
• Dataset includes results from molecular docking studies comparing affinity to erlotinib

Limitations

• Column-level documentation is absent; field semantics must be inferred after download
• Row count is unknown, which may limit suitability assessment

Provenance

Source

Mahadevi Vitthal Kendre

Collection Method

Compounds were synthesized and evaluated via in vitro and in silico methods.

Freshness

Last updated 2026-04-16 17:56:34; freshness should be verified