Imidazole-Functionalized Thieno[3,2‑c]quinolines as Promising Antiproliferative Agents: De

Gabriele La Monica published a dataset on figshare in May 2026 describing a series of imidazole-functionalized thieno[3,2-c]quinoline-2-carboxylates. The dataset likely contains results from NCI-60 human tumor cell line screening and computational analyses, including docking, molecular dynamics, and DFT studies. The file is 185.9 KB in size.

Use Cases

• Evaluating antiproliferative potency based on GI50 values from NCI-60 screening
• Analyzing structure-activity relationships for imidazole-functionalized thienoquinoline hybrids
• Comparing binding profiles and electronic adaptability through docking and DFT results
• Assessing predicted drug-like properties and safety-related parameters for novel chemotypes

Strengths

• Dataset includes results from the standardized NCI-60 human tumor cell line panel
• Six derivatives displayed low-to-submicromolar mean GI50 values (0.98–5.55 μM), with one compound having mean GI50 < 1 μM
• Integrated computational analyses include docking, binding free-energy calculations, molecular dynamics simulations, and DFT studies

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download
• Data may reflect the specific experimental and computational bias inherent to the single study

Provenance

Source

Gabriele La Monica

Collection Method

Data likely originates from laboratory synthesis, in vitro NCI-60 screening, and computational modeling.

Freshness

Last updated 2026-05-07 06:13:29