Ejaz, Iqra published the artcileRational design, synthesis, antiproliferative activity against MCF-7, MDA-MB-231 cells, estrogen receptors binding affinity, and computational study of indenopyrimidine-2,5-dione analogs for the treatment of breast cancer, Name: 1-Methylurea, the main research area is breast cancer antiproliferative estrogen receptor indenopyrimidine dione therapeutics; Breast cancer; Estrogen receptor (ER); MCF-7 cancer cells, Antiangiogenesis; Tricyclic indenopyrimidine-2,5-dione.
Based on the structural architecture of estrogen receptors (ER) agonists/antagonists, we rationally designed and synthesized indenopyrimidine-2,5-dione analogs as a starting point of current research targeting estrogen receptors. These analogs were evaluated for their antiproliferative activities against breast cancer MCF-7 (ER+), MDA-MB-231 (ER-) and non-cancerous HEK-293 cells using MTT assay. Compounds with high antiproliferative activity against MCF-7 breast cancer cells were found devoid of cytotoxicity against HEK-293 cells. Competitive binding assay of estrogen receptors ERα and ERβ showed that diethanolamine derivative of 4-trifluoromethyl Ph derivative 30 displayed 77.5-fold strong binding affinity towards ERα (IC50 = 0.004 μM) as compared to ERβ (IC50 = 0.31 μM). The calculated RBA value of compound 30 indicated that it has greater affinity with ER than estradiol. By docking studies, we demonstrated that high binding affinity with ERα is due to binding orientation and interaction of CF3 with a number of key amino acid residues present in the active site of ERα.
Bioorganic & Medicinal Chemistry Letters published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Name: 1-Methylurea.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem