Aug 2026· Journal of Computer-Aided Molecular Design· Vol 40· 0 citations· 31 references
Medicine
TL;DR
Two novel classes of hybrid quinazolin-2,4-diones 2–17, privileged with urea and/or carbamate moieties, as EGFR-TK inhibitors represent promising lead candidates for developing novel EGFR inhibitors for cancer treatment.
Combined computational and preliminary cell-based findings support compound 4i as a promising lead for further investigation of EGFR-targeted anticancer activity and biochemical EGFR kinase inhibition and target-engagement studies are required to determine the mechanism of action.
S. Badadhe, Vikas B. Gawali, C. Jangme et al.· Journal of the Iranian Chemi...· 0 citations
A novel series of benzofuran-based aryl urea derivatives incorporating a 1,3,4-thiadiazole linker were designed as dual VEGFR-2/BRAFWT inhibitors using sorafenib as a pharmacophoric template, with compound 7j emerging as the most active analogue.
Marwa I. Serag, Mohamed R. Elnagar, Wafaa A. Ewes et al.· Bioorganic & Medicinal Chemi...· 1 citation
Compound 6b is identified as a promising lead candidate for further development as a VEGFR-2-targeted anticancer agent and stable backbone behavior, regulated ligand fluctuations, preserved structural compactness, and sustained hydrogen bonding within the 6b-VEGFR-2 complex are identified.
Mohamed El-Naggar, Hend I Abdelaal, Mohamed E Albakri et al.· RSC Advances· 0 citations
Docking results have supported above observations by indicating that compounds are held in the active pocket by combination of various hydrogen and hydrophobic interactions.
N. M. Thorat, Ashvini U. Chaudhari, A. P. Ingale et al.· Phosphorus Sulfur and Silico...· 0 citations
The developed metal-free synthesis provided a sustainable route to bioactive carbazolyl-thiazolidinones, and derivatives 4e, 4i, 4j, 4o could be promising leads for targeting Wnt/β-catenin/c-MYC signaling in leukemia.
S. Shehzadi, Sana Naveed, D. Khan et al.· Bioorganic chemistry (Print)· 0 citations
A new series of pyrazolo[3,4-d-d]pyrimidine scaffolds, namely, 4a–l, were designed, synthesized, and tested for anti-inflammatory and anti-proliferative activities and represent promising starting candidates for the development of future CDK2 kinase and COX-2 inhibitors.
Sara Y. Ewieda, Laila Ziko, Ahmed Elshewy et al.· RSC Advances· 1 citation
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